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

C14H28ClN3O2 — CID 119311679

IUPAC1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CCN)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-5-11(2)16-14(19)12-6-4-9-17(10-12)13(18)7-8-15;/h11-12H,3-10,15H2,1-2H3,(H,16,19);1H
InChIKeyDOFDIFPJCOJQAZ-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.30
Rot. Bonds6

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

1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119311679) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119311679
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CCN)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-5-11(2)16-14(19)12-6-4-9-17(10-12)13(18)7-8-15;/h11-12H,3-10,15H2,1-2H3,(H,16,19);1H
InChIKeyDOFDIFPJCOJQAZ-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
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-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367549
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763244
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-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 119311679) is 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is CCCC(C)NC(=O)C1CCCN(C(=O)CCN)C1.Cl.
What is the InChIKey of 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is DOFDIFPJCOJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-3-5-11(2)16-14(19)12-6-4-9-17(10-12)13(18)7-8-15;/h11-12H,3-10,15H2,1-2H3,(H,16,19);1H.
What are the key properties of 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119311679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).