N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H30ClN3O3 — CID 119761918

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCC(=O)N2CCCCCC2)CCNCC1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-22-16(7-10-17-11-8-16)15(21)18-9-6-14(20)19-12-4-2-3-5-13-19;/h17H,2-13H2,1H3,(H,18,21);1H
InChIKeyKZEFLOIDGAXVAI-UHFFFAOYSA-N
MW347.89 g/mol
LogP1.09
Rot. Bonds5

About N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119761918) has the molecular formula C16H30ClN3O3 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119761918
Molecular FormulaC16H30ClN3O3
Molecular Weight347.89 g/mol
Exact Mass347.20
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCC(=O)N2CCCCCC2)CCNCC1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-22-16(7-10-17-11-8-16)15(21)18-9-6-14(20)19-12-4-2-3-5-13-19;/h17H,2-13H2,1H3,(H,18,21);1H
InChIKeyKZEFLOIDGAXVAI-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 119870712
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119761918) is N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCC(=O)N2CCCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is KZEFLOIDGAXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3.ClH/c1-22-16(7-10-17-11-8-16)15(21)18-9-6-14(20)19-12-4-2-3-5-13-19;/h17H,2-13H2,1H3,(H,18,21);1H.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119761918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).