N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide

C104H218N26O9 — CID 157388423

IUPACN-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(N)=O)CC1.CC(C)NC(C)(C)C(N)=O.CC(C)NC1(C(=O)N(C)CCN(C)C)CCN(C)CC1.CC(C)NC1(C(=O)N2CCN(C)CC2)CCN(C)CC1.CC(C)NC1(C(=O)NCCC2CCCN2C)CCN(C)CC1.CC(C)NC1(C(=O)NCCCN(C)C)CCN(C)CC1.CC(C)NC1(C(N)=O)CCCC1.CC(C)N[C@@H](C(N)=O)C(C)C.CC(C)[C@H](C(N)=O)N(C)C(C)C
InChIInChI=1S/C17H34N4O.C15H30N4O.2C15H32N4O.2C9H18N2O.C9H20N2O.C8H18N2O.C7H16N2O/c1-14(2)19-17(8-12-20(3)13-9-17)16(22)18-10-7-15-6-5-11-21(15)4;1-13(2)16-15(5-7-17(3)8-6-15)14(20)19-11-9-18(4)10-12-19;1-13(2)16-15(7-9-18(5)10-8-15)14(20)19(6)12-11-17(3)4;1-13(2)17-15(7-11-19(5)12-8-15)14(20)16-9-6-10-18(3)4;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)11-9(8(10)12)5-3-4-6-9;1-6(2)8(9(10)12)11(5)7(3)4;1-5(2)7(8(9)11)10-6(3)4;1-5(2)9-7(3,4)6(8)10/h14-15,19H,5-13H2,1-4H3,(H,18,22);13,16H,5-12H2,1-4H3;13,16H,7-12H2,1-6H3;13,17H,6-12H2,1-5H3,(H,16,20);7-8H,3-6H2,1-2H3,(H2,10,12);7,11H,3-6H2,1-2H3,(H2,10,12);6-8H,1-5H3,(H2,10,12);5-7,10H,1-4H3,(H2,9,11);5,9H,1-4H3,(H2,8,10)/t;;;;;;8-;7-;/m......11./s1
InChIKeyBLSCUUMKWLMUPN-LJARZIFOSA-N
MW1977.06 g/mol
LogP5.21
Rot. Bonds38

About N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 157388423) has the molecular formula C104H218N26O9 and a molecular weight of 1977.06 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide
PubChem CID157388423
Molecular FormulaC104H218N26O9
Molecular Weight1977.06 g/mol
Exact Mass1975.74
IUPAC NameN-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(N)=O)CC1.CC(C)NC(C)(C)C(N)=O.CC(C)NC1(C(=O)N(C)CCN(C)C)CCN(C)CC1.CC(C)NC1(C(=O)N2CCN(C)CC2)CCN(C)CC1.CC(C)NC1(C(=O)NCCC2CCCN2C)CCN(C)CC1.CC(C)NC1(C(=O)NCCCN(C)C)CCN(C)CC1.CC(C)NC1(C(N)=O)CCCC1.CC(C)N[C@@H](C(N)=O)C(C)C.CC(C)[C@H](C(N)=O)N(C)C(C)C
InChIInChI=1S/C17H34N4O.C15H30N4O.2C15H32N4O.2C9H18N2O.C9H20N2O.C8H18N2O.C7H16N2O/c1-14(2)19-17(8-12-20(3)13-9-17)16(22)18-10-7-15-6-5-11-21(15)4;1-13(2)16-15(5-7-17(3)8-6-15)14(20)19-11-9-18(4)10-12-19;1-13(2)16-15(7-9-18(5)10-8-15)14(20)19(6)12-11-17(3)4;1-13(2)17-15(7-11-19(5)12-8-15)14(20)16-9-6-10-18(3)4;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)11-9(8(10)12)5-3-4-6-9;1-6(2)8(9(10)12)11(5)7(3)4;1-5(2)7(8(9)11)10-6(3)4;1-5(2)9-7(3,4)6(8)10/h14-15,19H,5-13H2,1-4H3,(H,18,22);13,16H,5-12H2,1-4H3;13,16H,7-12H2,1-6H3;13,17H,6-12H2,1-5H3,(H,16,20);7-8H,3-6H2,1-2H3,(H2,10,12);7,11H,3-6H2,1-2H3,(H2,10,12);6-8H,1-5H3,(H2,10,12);5-7,10H,1-4H3,(H2,9,11);5,9H,1-4H3,(H2,8,10)/t;;;;;;8-;7-;/m......11./s1
InChIKeyBLSCUUMKWLMUPN-LJARZIFOSA-N
XLogP5.21
TPSA430.88 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.06
LogP ≤ 55.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide (CID 157388423) is N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(N)=O)CC1.CC(C)NC(C)(C)C(N)=O.CC(C)NC1(C(=O)N(C)CCN(C)C)CCN(C)CC1.CC(C)NC1(C(=O)N2CCN(C)CC2)CCN(C)CC1.CC(C)NC1(C(=O)NCCC2CCCN2C)CCN(C)CC1.CC(C)NC1(C(=O)NCCCN(C)C)CCN(C)CC1.CC(C)NC1(C(N)=O)CCCC1.CC(C)N[C@@H](C(N)=O)C(C)C.CC(C)[C@H](C(N)=O)N(C)C(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is BLSCUUMKWLMUPN-LJARZIFOSA-N. The full InChI is InChI=1S/C17H34N4O.C15H30N4O.2C15H32N4O.2C9H18N2O.C9H20N2O.C8H18N2O.C7H16N2O/c1-14(2)19-17(8-12-20(3)13-9-17)16(22)18-10-7-15-6-5-11-21(15)4;1-13(2)16-15(5-7-17(3)8-6-15)14(20)19-11-9-18(4)10-12-19;1-13(2)16-15(7-9-18(5)10-8-15)14(20)19(6)12-11-17(3)4;1-13(2)17-15(7-11-19(5)12-8-15)14(20)16-9-6-10-18(3)4;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)11-9(8(10)12)5-3-4-6-9;1-6(2)8(9(10)12)11(5)7(3)4;1-5(2)7(8(9)11)10-6(3)4;1-5(2)9-7(3,4)6(8)10/h14-15,19H,5-13H2,1-4H3,(H,18,22);13,16H,5-12H2,1-4H3;13,16H,7-12H2,1-6H3;13,17H,6-12H2,1-5H3,(H,16,20);7-8H,3-6H2,1-2H3,(H2,10,12);7,11H,3-6H2,1-2H3,(H2,10,12);6-8H,1-5H3,(H2,10,12);5-7,10H,1-4H3,(H2,9,11);5,9H,1-4H3,(H2,8,10)/t;;;;;;8-;7-;/m......11./s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 1977.06 g/mol, XLogP of 5.21, 38 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;(4-methylpiperazin-1-yl)-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;1-(propan-2-ylamino)cyclopentane-1-carboxamide;1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 157388423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).