2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide

C22H23N3O — CID 86832456

IUPAC2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C22H23N3O/c1-16-20(14-17-8-3-4-11-21(17)23-16)22(26)24-18-9-7-10-19(15-18)25-12-5-2-6-13-25/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,24,26)
InChIKeySYSBAJLRTOWFIB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.79
Rot. Bonds3

About 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide

2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide (PubChem CID 86832456) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
PubChem CID86832456
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C22H23N3O/c1-16-20(14-17-8-3-4-11-21(17)23-16)22(26)24-18-9-7-10-19(15-18)25-12-5-2-6-13-25/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,24,26)
InChIKeySYSBAJLRTOWFIB-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 55877092
N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
N'-(2-methyl-3-pyridinyl)-N-(3-piperidin-1-ylphenyl)oxamide
CID 99585219
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 87032124
6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
CID 110422824
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide (CID 86832456) is 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide?
The InChIKey is SYSBAJLRTOWFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-20(14-17-8-3-4-11-21(17)23-16)22(26)24-18-9-7-10-19(15-18)25-12-5-2-6-13-25/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,24,26).
What are the key properties of 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide?
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 86832456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).