N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide

C23H25N3O — CID 86981138

IUPACN-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-17-21(14-19-10-5-6-12-22(19)24-17)23(27)25-20-11-7-13-26(16-20)15-18-8-3-2-4-9-18/h2-6,8-10,12,14,20H,7,11,13,15-16H2,1H3,(H,25,27)
InChIKeyXBQKZEIBBOLUMH-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.94
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide

N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide (PubChem CID 86981138) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
PubChem CID86981138
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H25N3O/c1-17-21(14-19-10-5-6-12-22(19)24-17)23(27)25-20-11-7-13-26(16-20)15-18-8-3-2-4-9-18/h2-6,8-10,12,14,20H,7,11,13,15-16H2,1H3,(H,25,27)
InChIKeyXBQKZEIBBOLUMH-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
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N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
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N-(1-benzylpiperidin-3-yl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78897706
N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 96526370
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134802067
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CID 141457665

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide (CID 86981138) is N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide?
The InChIKey is XBQKZEIBBOLUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-21(14-19-10-5-6-12-22(19)24-17)23(27)25-20-11-7-13-26(16-20)15-18-8-3-2-4-9-18/h2-6,8-10,12,14,20H,7,11,13,15-16H2,1H3,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide?
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 86981138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).