N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide

C31H33N3O — CID 3479625

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C31H33N3O/c1-3-23-10-12-25(13-11-23)30-20-28(27-19-22(2)9-14-29(27)33-30)31(35)32-26-15-17-34(18-16-26)21-24-7-5-4-6-8-24/h4-14,19-20,26H,3,15-18,21H2,1-2H3,(H,32,35)
InChIKeyIEIHOPVZAAIUQU-UHFFFAOYSA-N
MW463.63 g/mol
LogP6.17
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide (PubChem CID 3479625) has the molecular formula C31H33N3O and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
PubChem CID3479625
Molecular FormulaC31H33N3O
Molecular Weight463.63 g/mol
Exact Mass463.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C31H33N3O/c1-3-23-10-12-25(13-11-23)30-20-28(27-19-22(2)9-14-29(27)33-30)31(35)32-26-15-17-34(18-16-26)21-24-7-5-4-6-8-24/h4-14,19-20,26H,3,15-18,21H2,1-2H3,(H,32,35)
InChIKeyIEIHOPVZAAIUQU-UHFFFAOYSA-N
XLogP6.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
CID 17372353
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
CID 155559458
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 39966113

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide (CID 3479625) is N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is IEIHOPVZAAIUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O/c1-3-23-10-12-25(13-11-23)30-20-28(27-19-22(2)9-14-29(27)33-30)31(35)32-26-15-17-34(18-16-26)21-24-7-5-4-6-8-24/h4-14,19-20,26H,3,15-18,21H2,1-2H3,(H,32,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 3479625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).