[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

C24H29FN2O — CID 146793309

IUPAC[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C24H29FN2O/c1-17-7-6-10-21(25)23(17)24(28)27-16-5-4-11-22(27)18-12-14-20(15-13-18)26-19-8-2-3-9-19/h6-7,10,12-15,19,22,26H,2-5,8-9,11,16H2,1H3/t22-/m1/s1
InChIKeyRWGIIVHNVQDZEU-JOCHJYFZSA-N
MW380.51 g/mol
LogP5.86
Rot. Bonds4

About [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (PubChem CID 146793309) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
PubChem CID146793309
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C24H29FN2O/c1-17-7-6-10-21(25)23(17)24(28)27-16-5-4-11-22(27)18-12-14-20(15-13-18)26-19-8-2-3-9-19/h6-7,10,12-15,19,22,26H,2-5,8-9,11,16H2,1H3/t22-/m1/s1
InChIKeyRWGIIVHNVQDZEU-JOCHJYFZSA-N
XLogP5.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 177369510
[2-[4-(cyclopentylamino)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 174188149
[2-[4-[(2,5-dimethylpyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 129084484
N-cyclopentylaniline;ethane;(2-fluoro-6-methylphenyl)-piperidin-1-ylmethanone;methanol
CID 169151615
(2R)-2-[4-(cyclopentylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 130231869
(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 126604008
(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 121381991
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-[3-(1,1-difluoroethyl)-4-methylphenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 46830716
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-[2,6-dideuterio-4-methyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138609002
(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(1,4-dimethyl-5-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 167114407
1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)-2-[4-(oxan-4-ylamino)phenyl]piperidine-3-carboxamide
CID 75214882

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The IUPAC name of [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (CID 146793309) is [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.
What is the SMILES notation for [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The canonical SMILES for [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is Cc1cccc(F)c1C(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)cc1.
What is the InChIKey of [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The InChIKey is RWGIIVHNVQDZEU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-17-7-6-10-21(25)23(17)24(28)27-16-5-4-11-22(27)18-12-14-20(15-13-18)26-19-8-2-3-9-19/h6-7,10,12-15,19,22,26H,2-5,8-9,11,16H2,1H3/t22-/m1/s1.
What are the key properties of [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone has a molecular weight of 380.51 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is sourced from PubChem (CID 146793309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).