6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide

C23H25N3O — CID 53020839

IUPAC6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C23H25N3O/c1-16-7-6-8-18(13-16)24-23(27)21-15-22(26-11-4-3-5-12-26)19-14-17(2)9-10-20(19)25-21/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,24,27)
InChIKeyKKOFRKNHGJHFDL-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.09
Rot. Bonds3

About 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide

6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide (PubChem CID 53020839) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
PubChem CID53020839
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C23H25N3O/c1-16-7-6-8-18(13-16)24-23(27)21-15-22(26-11-4-3-5-12-26)19-14-17(2)9-10-20(19)25-21/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,24,27)
InChIKeyKKOFRKNHGJHFDL-UHFFFAOYSA-N
XLogP5.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020840
N-(4-ethylphenyl)-6-methyl-4-piperidin-1-ylquinoline-2-carboxamide
CID 53036018
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
6-methyl-2,4-di(piperidin-1-yl)quinoline
CID 14338122
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide (CID 53020839) is 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide is Cc1cccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)c1.
What is the InChIKey of 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide?
The InChIKey is KKOFRKNHGJHFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-7-6-8-18(13-16)24-23(27)21-15-22(26-11-4-3-5-12-26)19-14-17(2)9-10-20(19)25-21/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,24,27).
What are the key properties of 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide?
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide is sourced from PubChem (CID 53020839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).