N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride

C21H28ClN3O3 — CID 172910815

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCOc1cccc(CCNC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-15-9-13-24(17-7-10-22-11-8-17)21(26)19(15)20(25)23-12-6-16-4-3-5-18(14-16)27-2;/h3-5,9,13-14,17,22H,6-8,10-12H2,1-2H3,(H,23,25);1H
InChIKeyKAIAVINCNYBOFL-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride

N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (PubChem CID 172910815) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
PubChem CID172910815
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCOc1cccc(CCNC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-15-9-13-24(17-7-10-22-11-8-17)21(26)19(15)20(25)23-12-6-16-4-3-5-18(14-16)27-2;/h3-5,9,13-14,17,22H,6-8,10-12H2,1-2H3,(H,23,25);1H
InChIKeyKAIAVINCNYBOFL-UHFFFAOYSA-N
XLogP2.48
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110648496
4-methyl-N-[3-[2-(methylamino)-2-oxoethyl]phenyl]-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172666990
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458507
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
CID 172909927
4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910810
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 172672451
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172673603
4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172911814
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (CID 172910815) is N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is COc1cccc(CCNC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.Cl.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The InChIKey is KAIAVINCNYBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-15-9-13-24(17-7-10-22-11-8-17)21(26)19(15)20(25)23-12-6-16-4-3-5-18(14-16)27-2;/h3-5,9,13-14,17,22H,6-8,10-12H2,1-2H3,(H,23,25);1H.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172910815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).