1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide

C20H31N3O2 — CID 119950444

IUPAC1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)CC(N)c2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-3-4-12-22-20(25)17-11-10-15(2)23(14-17)19(24)13-18(21)16-8-6-5-7-9-16/h5-9,15,17-18H,3-4,10-14,21H2,1-2H3,(H,22,25)
InChIKeyAEWZUQHTYPINEA-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.62
Rot. Bonds7

About 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide

1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide (PubChem CID 119950444) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
PubChem CID119950444
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(C(=O)CC(N)c2ccccc2)C1
InChIInChI=1S/C20H31N3O2/c1-3-4-12-22-20(25)17-11-10-15(2)23(14-17)19(24)13-18(21)16-8-6-5-7-9-16/h5-9,15,17-18H,3-4,10-14,21H2,1-2H3,(H,22,25)
InChIKeyAEWZUQHTYPINEA-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2-hydroxy-2-phenylacetyl)-6-methylpiperidine-3-carboxamide
CID 111464473
1-(4-aminopentanoyl)-N-butyl-6-methylpiperidine-3-carboxamide;hydrochloride
CID 120561073
N-butyl-6-methyl-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-3-carboxamide
CID 86935196
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
3-amino-1-(2,6-dimethylazepan-1-yl)-3-phenylpropan-1-one
CID 119951712
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
2-[5-(butylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182113
N-butyl-6-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119744465
(3S,6S)-N-butyl-1-[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 52509283
N-butyl-1-[3-(methoxymethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 51093171
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide (CID 119950444) is 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(C(=O)CC(N)c2ccccc2)C1.
What is the InChIKey of 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide?
The InChIKey is AEWZUQHTYPINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-4-12-22-20(25)17-11-10-15(2)23(14-17)19(24)13-18(21)16-8-6-5-7-9-16/h5-9,15,17-18H,3-4,10-14,21H2,1-2H3,(H,22,25).
What are the key properties of 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide?
1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-phenylpropanoyl)-N-butyl-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119950444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).