1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide

C16H31N3O2 — CID 119763223

IUPAC1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CCCNC)C1
InChIInChI=1S/C16H31N3O2/c1-4-7-13(2)18-16(21)14-8-6-11-19(12-14)15(20)9-5-10-17-3/h13-14,17H,4-12H2,1-3H3,(H,18,21)
InChIKeyPDFWALGXFDQBLJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds8

About 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 119763223) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID119763223
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CCCNC)C1
InChIInChI=1S/C16H31N3O2/c1-4-7-13(2)18-16(21)14-8-6-11-19(12-14)15(20)9-5-10-17-3/h13-14,17H,4-12H2,1-3H3,(H,18,21)
InChIKeyPDFWALGXFDQBLJ-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
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

1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591034
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
(2S)-2-[[(3S)-1-butanoylpiperidine-3-carbonyl]amino]heptanoic acid
CID 97337442
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763244
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119212197
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 119763223) is 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)CCCNC)C1.
What is the InChIKey of 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is PDFWALGXFDQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-7-13(2)18-16(21)14-8-6-11-19(12-14)15(20)9-5-10-17-3/h13-14,17H,4-12H2,1-3H3,(H,18,21).
What are the key properties of 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119763223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).