3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide

C28H33F5N2O — CID 59049928

IUPAC3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(F)(c3ccccc3)CC2)C1
InChIInChI=1S/C28H33F5N2O/c1-19(2)26(25(36)34-18-20-14-22(28(31,32)33)16-23(29)15-20)9-8-24(17-26)35-12-10-27(30,11-13-35)21-6-4-3-5-7-21/h3-7,14-16,19,24H,8-13,17-18H2,1-2H3,(H,34,36)
InChIKeyOLPZGVLOZOUNJV-UHFFFAOYSA-N
MW508.58 g/mol
LogP6.62
Rot. Bonds6

About 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide

3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 59049928) has the molecular formula C28H33F5N2O and a molecular weight of 508.58 g/mol. Its IUPAC name is 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID59049928
Molecular FormulaC28H33F5N2O
Molecular Weight508.58 g/mol
Exact Mass508.25
IUPAC Name3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(F)(c3ccccc3)CC2)C1
InChIInChI=1S/C28H33F5N2O/c1-19(2)26(25(36)34-18-20-14-22(28(31,32)33)16-23(29)15-20)9-8-24(17-26)35-12-10-27(30,11-13-35)21-6-4-3-5-7-21/h3-7,14-16,19,24H,8-13,17-18H2,1-2H3,(H,34,36)
InChIKeyOLPZGVLOZOUNJV-UHFFFAOYSA-N
XLogP6.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(3R)-3-methyl-4-phenylpiperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 59050109
trans-(1S,3R)-3-[4-(2-amino-1,3-thiazol-5-yl)piperidin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10053587
ethyl 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-propan-2-ylcyclopentyl]piperidine-3-carboxylate
CID 59050063
benzyl N-[5-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-propan-2-ylcyclopentyl]piperidin-4-yl]-1,3-thiazol-2-yl]carbamate
CID 10101202
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methyl-4-pyrazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
CID 10076068
[(1R)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]cyclobutyl]-[3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone
CID 162548986
trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[[4-(4-fluorophenyl)phenyl]methylamino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 11478748
N-[(3,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10139328
trans-(1S,3R)-3-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 10326302
(1S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-hydroxypropan-2-yl)-3-(4-phenylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 59049976
N-[(3-chlorophenyl)methyl]-3-(4-phenylpiperidin-1-yl)-1-propan-2-ylcyclopentane-1-carboxamide
CID 10274899
1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 59888783

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide (CID 59049928) is 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(F)(c3ccccc3)CC2)C1.
What is the InChIKey of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is OLPZGVLOZOUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F5N2O/c1-19(2)26(25(36)34-18-20-14-22(28(31,32)33)16-23(29)15-20)9-8-24(17-26)35-12-10-27(30,11-13-35)21-6-4-3-5-7-21/h3-7,14-16,19,24H,8-13,17-18H2,1-2H3,(H,34,36).
What are the key properties of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 59049928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).