1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide

C129H269N27O9 — CID 157166692

About 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide

1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide (PubChem CID 157166692) has the molecular formula C129H269N27O9 and a molecular weight of 2342.75 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide.

Molecular Properties

• Compound Name: 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide
• PubChem CID: 157166692
• Molecular Formula: C129H269N27O9
• Molecular Weight: 2342.75 g/mol
• Exact Mass: 2341.14
• IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide
• SMILES: CC(C)NC(C)(C)C(=O)N(C)C1CCN(C)CC1.CC(C)NC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1.CC(C)NC(C)(C)C(=O)NCC(C)(C)CN(C)C.CC(C)NC(C)(C)C(=O)NCCCN(C)C.CC(C)N[C@@H](C(=O)N(C)C1CCN(C)CC1)C(C)C.CC(C)N[C@@H](C(=O)N(C)CCCN(C)C)C(C)C.CC(C)N[C@@H](C(=O)NCC(C)(C)CN(C)C)C(C)C.CC(C)N[C@@H](C(=O)NCCC1CCCN1C)C(C)C.CC(C)N[C@@H](C(=O)NCCN(C)C)C(C)C
• InChI: InChI=1S/C18H29N3O.2C15H31N3O.C15H33N3O.C14H29N3O.2C14H31N3O.2C12H27N3O/c1-15(2)19-18(3,4)17(22)21-12-10-20(11-13-21)14-16-8-6-5-7-9-16;1-11(2)14(16-12(3)4)15(19)18(6)13-7-9-17(5)10-8-13;1-11(2)14(17-12(3)4)15(19)16-9-8-13-7-6-10-18(13)5;1-11(2)13(17-12(3)4)14(19)16-9-15(5,6)10-18(7)8;1-11(2)15-14(3,4)13(18)17(6)12-7-9-16(5)10-8-12;1-11(2)16-14(5,6)12(18)15-9-13(3,4)10-17(7)8;1-11(2)13(15-12(3)4)14(18)17(7)10-8-9-16(5)6;1-10(2)14-12(3,4)11(16)13-8-7-9-15(5)6;1-9(2)11(14-10(3)4)12(16)13-7-8-15(5)6/h5-9,15,19H,10-14H2,1-4H3;11-14,16H,7-10H2,1-6H3;11-14,17H,6-10H2,1-5H3,(H,16,19);11-13,17H,9-10H2,1-8H3,(H,16,19);11-12,15H,7-10H2,1-6H3;11,16H,9-10H2,1-8H3,(H,15,18);11-13,15H,8-10H2,1-7H3;10,14H,7-9H2,1-6H3,(H,13,16);9-11,14H,7-8H2,1-6H3,(H,13,16)/t;14-;13?,14-;13-;;;13-;;11-/m.111..1.1/s1
• InChIKey: AMZNCTUOCPXLKE-PIKZHDIESA-N
• XLogP: 12.71
• TPSA: 364.17 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 58
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2342.75
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide?

The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide (CID 157166692) is 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide.

What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide?

The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide is CC(C)NC(C)(C)C(=O)N(C)C1CCN(C)CC1.CC(C)NC(C)(C)C(=O)N1CCN(Cc2ccccc2)CC1.CC(C)NC(C)(C)C(=O)NCC(C)(C)CN(C)C.CC(C)NC(C)(C)C(=O)NCCCN(C)C.CC(C)N[C@@H](C(=O)N(C)C1CCN(C)CC1)C(C)C.CC(C)N[C@@H](C(=O)N(C)CCCN(C)C)C(C)C.CC(C)N[C@@H](C(=O)NCC(C)(C)CN(C)C)C(C)C.CC(C)N[C@@H](C(=O)NCCC1CCCN1C)C(C)C.CC(C)N[C@@H](C(=O)NCCN(C)C)C(C)C.

What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide?

The InChIKey is AMZNCTUOCPXLKE-PIKZHDIESA-N. The full InChI is InChI=1S/C18H29N3O.2C15H31N3O.C15H33N3O.C14H29N3O.2C14H31N3O.2C12H27N3O/c1-15(2)19-18(3,4)17(22)21-12-10-20(11-13-21)14-16-8-6-5-7-9-16;1-11(2)14(16-12(3)4)15(19)18(6)13-7-9-17(5)10-8-13;1-11(2)14(17-12(3)4)15(19)16-9-8-13-7-6-10-18(13)5;1-11(2)13(17-12(3)4)14(19)16-9-15(5,6)10-18(7)8;1-11(2)15-14(3,4)13(18)17(6)12-7-9-16(5)10-8-12;1-11(2)16-14(5,6)12(18)15-9-13(3,4)10-17(7)8;1-11(2)13(15-12(3)4)14(18)17(7)10-8-9-16(5)6;1-10(2)14-12(3,4)11(16)13-8-7-9-15(5)6;1-9(2)11(14-10(3)4)12(16)13-7-8-15(5)6/h5-9,15,19H,10-14H2,1-4H3;11-14,16H,7-10H2,1-6H3;11-14,17H,6-10H2,1-5H3,(H,16,19);11-13,17H,9-10H2,1-8H3,(H,16,19);11-12,15H,7-10H2,1-6H3;11,16H,9-10H2,1-8H3,(H,15,18);11-13,15H,8-10H2,1-7H3;10,14H,7-9H2,1-6H3,(H,13,16);9-11,14H,7-8H2,1-6H3,(H,13,16)/t;14-;13?,14-;13-;;;13-;;11-/m.111..1.1/s1.

What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide?

1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide has a molecular weight of 2342.75 g/mol, XLogP of 12.71, 58 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 157166692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).