(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

C20H22FN3O2 — CID 92891396

IUPAC(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccccc3F)c2)C1
InChIInChI=1S/C20H22FN3O2/c1-22-20(26)24-11-5-8-16(13-24)14-6-4-7-15(12-14)19(25)23-18-10-3-2-9-17(18)21/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyPUHLEQSCKORAPE-INIZCTEOSA-N
MW355.41 g/mol
LogP3.60
Rot. Bonds3

About (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide

(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 92891396) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
PubChem CID92891396
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccccc3F)c2)C1
InChIInChI=1S/C20H22FN3O2/c1-22-20(26)24-11-5-8-16(13-24)14-6-4-7-15(12-14)19(25)23-18-10-3-2-9-17(18)21/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1
InChIKeyPUHLEQSCKORAPE-INIZCTEOSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50788957
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
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
(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-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247
3-[3-[(3-bromophenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50789043
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide (CID 92891396) is (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3ccccc3F)c2)C1.
What is the InChIKey of (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is PUHLEQSCKORAPE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-22-20(26)24-11-5-8-16(13-24)14-6-4-7-15(12-14)19(25)23-18-10-3-2-9-17(18)21/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,22,26)(H,23,25)/t16-/m0/s1.
What are the key properties of (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide?
(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 92891396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).