3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

C21H24FN3O2 — CID 50788957

IUPAC3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(c2cccc(C(=O)Nc3ccc(F)cc3C)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-14-11-18(22)8-9-19(14)24-20(26)16-6-3-5-15(12-16)17-7-4-10-25(13-17)21(27)23-2/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyNLZJQVDMEJTALY-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.91
Rot. Bonds3

About 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 50788957) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
PubChem CID50788957
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCCC(c2cccc(C(=O)Nc3ccc(F)cc3C)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-14-11-18(22)8-9-19(14)24-20(26)16-6-3-5-15(12-16)17-7-4-10-25(13-17)21(27)23-2/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyNLZJQVDMEJTALY-UHFFFAOYSA-N
XLogP3.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891396
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
(3S)-N-methyl-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872985
(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92872614
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
3-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50789043
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide (CID 50788957) is 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCCC(c2cccc(C(=O)Nc3ccc(F)cc3C)c2)C1.
What is the InChIKey of 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is NLZJQVDMEJTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-14-11-18(22)8-9-19(14)24-20(26)16-6-3-5-15(12-16)17-7-4-10-25(13-17)21(27)23-2/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 50788957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).