(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide

C21H24FN3O3 — CID 125172176

IUPAC(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCNC(=O)c1cc(NC(=O)N2CCCC[C@@H]2c2cccc(OC)c2)ccc1F
InChIInChI=1S/C21H24FN3O3/c1-23-20(26)17-13-15(9-10-18(17)22)24-21(27)25-11-4-3-8-19(25)14-6-5-7-16(12-14)28-2/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyQPWHOAOHZICHEU-LJQANCHMSA-N
MW385.44 g/mol
LogP3.95
Rot. Bonds4

About (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide

(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 125172176) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID125172176
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCNC(=O)c1cc(NC(=O)N2CCCC[C@@H]2c2cccc(OC)c2)ccc1F
InChIInChI=1S/C21H24FN3O3/c1-23-20(26)17-13-15(9-10-18(17)22)24-21(27)25-11-4-3-8-19(25)14-6-5-7-16(12-14)28-2/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyQPWHOAOHZICHEU-LJQANCHMSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 72906089
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56827021
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide (CID 125172176) is (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide is CNC(=O)c1cc(NC(=O)N2CCCC[C@@H]2c2cccc(OC)c2)ccc1F.
What is the InChIKey of (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is QPWHOAOHZICHEU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-23-20(26)17-13-15(9-10-18(17)22)24-21(27)25-11-4-3-8-19(25)14-6-5-7-16(12-14)28-2/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide?
(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 125172176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).