1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide

C23H25N3O — CID 118792538

IUPAC1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccc3ncccc3c2)(c2ccccc2)CC1
InChIInChI=1S/C23H25N3O/c1-26-14-11-23(12-15-26,20-7-3-2-4-8-20)22(27)25-17-18-9-10-21-19(16-18)6-5-13-24-21/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,25,27)
InChIKeyZELRWCCIIPTOSV-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.51
Rot. Bonds4

About 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide

1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide (PubChem CID 118792538) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
PubChem CID118792538
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccc3ncccc3c2)(c2ccccc2)CC1
InChIInChI=1S/C23H25N3O/c1-26-14-11-23(12-15-26,20-7-3-2-4-8-20)22(27)25-17-18-9-10-21-19(16-18)6-5-13-24-21/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,25,27)
InChIKeyZELRWCCIIPTOSV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
CID 99840657
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
CID 154796695
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 128810991
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide (CID 118792538) is 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide is CN1CCC(C(=O)NCc2ccc3ncccc3c2)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZELRWCCIIPTOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-26-14-11-23(12-15-26,20-7-3-2-4-8-20)22(27)25-17-18-9-10-21-19(16-18)6-5-13-24-21/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,25,27).
What are the key properties of 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide?
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118792538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).