1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide

C22H25N3O2 — CID 70048298

IUPAC1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
SMILESO=C1CCc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C22H25N3O2/c26-21-9-6-18-14-19(7-8-20(18)24-21)23-22(27)17-10-12-25(13-11-17)15-16-4-2-1-3-5-16/h1-5,7-8,14,17H,6,9-13,15H2,(H,23,27)(H,24,26)
InChIKeyYRHRLEPWDRJQFR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.42
Rot. Bonds4

About 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide

1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide (PubChem CID 70048298) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
PubChem CID70048298
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
SMILESO=C1CCc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2N1
InChIInChI=1S/C22H25N3O2/c26-21-9-6-18-14-19(7-8-20(18)24-21)23-22(27)17-10-12-25(13-11-17)15-16-4-2-1-3-5-16/h1-5,7-8,14,17H,6,9-13,15H2,(H,23,27)(H,24,26)
InChIKeyYRHRLEPWDRJQFR-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048118
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 84591356
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(1-benzylpyrrolidin-3-yl)methyl]-1-methyl-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 72849724
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 86929823
N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide (CID 70048298) is 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide is O=C1CCc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2N1.
What is the InChIKey of 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
The InChIKey is YRHRLEPWDRJQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-9-6-18-14-19(7-8-20(18)24-21)23-22(27)17-10-12-25(13-11-17)15-16-4-2-1-3-5-16/h1-5,7-8,14,17H,6,9-13,15H2,(H,23,27)(H,24,26).
What are the key properties of 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide?
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70048298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).