N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride

C15H28ClN3O2 — CID 119310932

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC(=O)N1CCCCCC1)C1CCCNC1
InChIInChI=1S/C15H27N3O2.ClH/c19-14(18-10-3-1-2-4-11-18)7-9-17-15(20)13-6-5-8-16-12-13;/h13,16H,1-12H2,(H,17,20);1H
InChIKeyBRJYRLGRIGYYSU-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.32
Rot. Bonds4

About N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride

N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119310932) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119310932
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC(=O)N1CCCCCC1)C1CCCNC1
InChIInChI=1S/C15H27N3O2.ClH/c19-14(18-10-3-1-2-4-11-18)7-9-17-15(20)13-6-5-8-16-12-13;/h13,16H,1-12H2,(H,17,20);1H
InChIKeyBRJYRLGRIGYYSU-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-morpholin-4-yl-3-oxopropyl)piperidine-3-carboxamide
CID 115597288
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119870654
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-2-carboxamide
CID 112701632
(2S,4S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629082
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride (CID 119310932) is N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCC(=O)N1CCCCCC1)C1CCCNC1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BRJYRLGRIGYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c19-14(18-10-3-1-2-4-11-18)7-9-17-15(20)13-6-5-8-16-12-13;/h13,16H,1-12H2,(H,17,20);1H.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).