1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one

C78H163N15O6 — CID 163713657

About 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one

1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 163713657) has the molecular formula C78H163N15O6 and a molecular weight of 1407.26 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
• PubChem CID: 163713657
• Molecular Formula: C78H163N15O6
• Molecular Weight: 1407.26 g/mol
• Exact Mass: 1406.29
• IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
• SMILES: CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)CCN1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CCC(=O)N1CCN(C(=O)C(C)C)CC1.CCCCNCCC(C)C.CCN1CCN(CC(C)C)CC1.CCN1CCN(CCC(C)C)CC1.CNC(=O)CCNC(=O)C(C)C
• InChI: InChI=1S/C11H20N2O2.C11H24N2.C10H18N2O2.2C10H22N2.C9H20N2.C9H21N.C8H16N2O2/c1-4-10(14)12-5-7-13(8-6-12)11(15)9(2)3;1-4-12-7-9-13(10-8-12)6-5-11(2)3;1-8(2)10(14)12-6-4-11(5-7-12)9(3)13;1-10(2)4-5-12-8-6-11(3)7-9-12;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-11-6-4-10(3)5-7-11;1-4-5-7-10-8-6-9(2)3;1-6(2)8(12)10-5-4-7(11)9-3/h9H,4-8H2,1-3H3;11H,4-10H2,1-3H3;8H,4-7H2,1-3H3;2*10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
• InChIKey: KLLDKIUKFFCAPV-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 177.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1407.26
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?

The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 163713657) is 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one.

What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?

The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one is CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)CCN1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CCC(=O)N1CCN(C(=O)C(C)C)CC1.CCCCNCCC(C)C.CCN1CCN(CC(C)C)CC1.CCN1CCN(CCC(C)C)CC1.CNC(=O)CCNC(=O)C(C)C.

What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?

The InChIKey is KLLDKIUKFFCAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C11H24N2.C10H18N2O2.2C10H22N2.C9H20N2.C9H21N.C8H16N2O2/c1-4-10(14)12-5-7-13(8-6-12)11(15)9(2)3;1-4-12-7-9-13(10-8-12)6-5-11(2)3;1-8(2)10(14)12-6-4-11(5-7-12)9(3)13;1-10(2)4-5-12-8-6-11(3)7-9-12;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-11-6-4-10(3)5-7-11;1-4-5-7-10-8-6-9(2)3;1-6(2)8(12)10-5-4-7(11)9-3/h9H,4-8H2,1-3H3;11H,4-10H2,1-3H3;8H,4-7H2,1-3H3;2*10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;6H,4-5H2,1-3H3,(H,9,11)(H,10,12).

What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one?

1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one has a molecular weight of 1407.26 g/mol, XLogP of 8.49, 25 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;N-butyl-3-methylbutan-1-amine;1-ethyl-4-(3-methylbutyl)piperazine;1-ethyl-4-(2-methylpropyl)piperazine;2-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 163713657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).