1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

C16H32ClN3O2 — CID 120561824

IUPAC1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CCC(C)N)C1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-6-13(3)18-16(21)14-7-5-10-19(11-14)15(20)9-8-12(2)17;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H
InChIKeyQNXDHRBEBGNFOK-UHFFFAOYSA-N
MW333.90 g/mol
LogP2.08
Rot. Bonds7

About 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120561824) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID120561824
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CCC(C)N)C1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-4-6-13(3)18-16(21)14-7-5-10-19(11-14)15(20)9-8-12(2)17;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H
InChIKeyQNXDHRBEBGNFOK-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763223
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591034
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763244
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119212197
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 120561824) is 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is CCCC(C)NC(=O)C1CCCN(C(=O)CCC(C)N)C1.Cl.
What is the InChIKey of 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QNXDHRBEBGNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-4-6-13(3)18-16(21)14-7-5-10-19(11-14)15(20)9-8-12(2)17;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120561824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).