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

C22H30ClN3O4 — CID 172909818

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCn2ccc(C)c(C(=O)NC3CCNCC3)c2=O)cc1OC.Cl
InChIInChI=1S/C22H29N3O4.ClH/c1-15-8-12-25(13-9-16-4-5-18(28-2)19(14-16)29-3)22(27)20(15)21(26)24-17-6-10-23-11-7-17;/h4-5,8,12,14,17,23H,6-7,9-11,13H2,1-3H3,(H,24,26);1H
InChIKeyIEJCCAIPSKHPBH-UHFFFAOYSA-N
MW435.95 g/mol
LogP2.32
Rot. Bonds7

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (PubChem CID 172909818) has the molecular formula C22H30ClN3O4 and a molecular weight of 435.95 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
PubChem CID172909818
Molecular FormulaC22H30ClN3O4
Molecular Weight435.95 g/mol
Exact Mass435.19
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCn2ccc(C)c(C(=O)NC3CCNCC3)c2=O)cc1OC.Cl
InChIInChI=1S/C22H29N3O4.ClH/c1-15-8-12-25(13-9-16-4-5-18(28-2)19(14-16)29-3)22(27)20(15)21(26)24-17-6-10-23-11-7-17;/h4-5,8,12,14,17,23H,6-7,9-11,13H2,1-3H3,(H,24,26);1H
InChIKeyIEJCCAIPSKHPBH-UHFFFAOYSA-N
XLogP2.32
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R,4R)-4-hydroxy-1-methylpyrrolidin-3-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172667725
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 172661146
methyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]amino]acetate
CID 172669782
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172656387
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172662289
3-(3-aminopyrrolidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyridin-2-one
CID 172666418
3-[3-(aminomethyl)piperidine-1-carbonyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyridin-2-one;hydrochloride
CID 172913198
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-4-methylpyridin-2-one
CID 172671942
3-[(1S,2R,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyridin-2-one
CID 172672964
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylpyridin-2-one
CID 172661851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride (CID 172909818) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is COc1ccc(CCn2ccc(C)c(C(=O)NC3CCNCC3)c2=O)cc1OC.Cl.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
The InChIKey is IEJCCAIPSKHPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4.ClH/c1-15-8-12-25(13-9-16-4-5-18(28-2)19(14-16)29-3)22(27)20(15)21(26)24-17-6-10-23-11-7-17;/h4-5,8,12,14,17,23H,6-7,9-11,13H2,1-3H3,(H,24,26);1H.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride?
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride has a molecular weight of 435.95 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172909818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).