[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

C25H31FN2O — CID 177369510

IUPAC[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCC(C)C1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C25H31FN2O/c1-17-7-5-11-22(26)23(17)25(29)28-16-6-8-18(2)24(28)19-12-14-21(15-13-19)27-20-9-3-4-10-20/h5,7,11-15,18,20,24,27H,3-4,6,8-10,16H2,1-2H3
InChIKeyGEPVZOIRYPQRRW-UHFFFAOYSA-N
MW394.53 g/mol
LogP6.10
Rot. Bonds4

About [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (PubChem CID 177369510) has the molecular formula C25H31FN2O and a molecular weight of 394.53 g/mol. Its IUPAC name is [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
PubChem CID177369510
Molecular FormulaC25H31FN2O
Molecular Weight394.53 g/mol
Exact Mass394.24
IUPAC Name[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCC(C)C1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C25H31FN2O/c1-17-7-5-11-22(26)23(17)25(29)28-16-6-8-18(2)24(28)19-12-14-21(15-13-19)27-20-9-3-4-10-20/h5,7,11-15,18,20,24,27H,3-4,6,8-10,16H2,1-2H3
InChIKeyGEPVZOIRYPQRRW-UHFFFAOYSA-N
XLogP6.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[4-(cyclopentylamino)phenyl]piperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 146793309
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-[3-(1,1-difluoroethyl)-4-methylphenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 46830716
(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 126604008
(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)-2-[4-(cyclopentylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 130231869
(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[[(3R)-3-methylcyclopentyl]amino]phenyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 70826850
(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 121381991
[2-[4-(cyclopentylamino)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-(2-fluoro-6-methylphenyl)methanone
CID 174188149
4-amino-2-(trifluoromethyl)benzoic acid;4-[[(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carbonyl]amino]-2-(trifluoromethyl)benzoic acid;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxylic acid
CID 161475848
(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
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-dimethylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 70826704
(2R,3S)-2-[4-(cyclopentylamino)-3-deuteriophenyl]-N-[4-[dideuterio(hydroxy)methyl]-3-hydroxyphenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138608993

Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The IUPAC name of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (CID 177369510) is [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The canonical SMILES for [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is Cc1cccc(F)c1C(=O)N1CCCC(C)C1c1ccc(NC2CCCC2)cc1.
What is the InChIKey of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The InChIKey is GEPVZOIRYPQRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O/c1-17-7-5-11-22(26)23(17)25(29)28-16-6-8-18(2)24(28)19-12-14-21(15-13-19)27-20-9-3-4-10-20/h5,7,11-15,18,20,24,27H,3-4,6,8-10,16H2,1-2H3.
What are the key properties of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone has a molecular weight of 394.53 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is sourced from PubChem (CID 177369510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).