N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

C23H25N3O — CID 158349781

IUPACN-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Cc3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H25N3O/c1-17-6-8-21(9-7-17)25-23(27)26-12-10-18(11-13-26)14-19-15-20-4-2-3-5-22(20)24-16-19/h2-9,15-16,18H,10-14H2,1H3,(H,25,27)
InChIKeyDOGNPYVKFIERDV-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.03
Rot. Bonds3

About N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide

N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 158349781) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID158349781
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(Cc3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C23H25N3O/c1-17-6-8-21(9-7-17)25-23(27)26-12-10-18(11-13-26)14-19-15-20-4-2-3-5-22(20)24-16-19/h2-9,15-16,18H,10-14H2,1H3,(H,25,27)
InChIKeyDOGNPYVKFIERDV-UHFFFAOYSA-N
XLogP5.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 46234787
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 118739871
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
3-(4-benzylpiperidine-1-carbonyl)-N-(4-methylphenyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxamide
CID 134085056
N-(4-methylphenyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]piperidine-1-carboxamide;N-(4-methylphenyl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide;N-(4-methylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide;N-(4-methylphenyl)-4-(quinolin-2-ylmethyl)piperidine-1-carboxamide
CID 162012902
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide (CID 158349781) is N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(Cc3cnc4ccccc4c3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is DOGNPYVKFIERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-6-8-21(9-7-17)25-23(27)26-12-10-18(11-13-26)14-19-15-20-4-2-3-5-22(20)24-16-19/h2-9,15-16,18H,10-14H2,1H3,(H,25,27).
What are the key properties of N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide?
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 158349781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).