(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C21H29F3N2O2 — CID 95152095

IUPAC(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H29F3N2O2/c22-21(23,24)17-8-4-6-15(12-17)19(27)14-26-11-5-7-16(13-26)20(28)25-18-9-2-1-3-10-18/h4,6,8,12,16,18-19,27H,1-3,5,7,9-11,13-14H2,(H,25,28)/t16-,19-/m0/s1
InChIKeyZTCZIXZBNSDFHI-LPHOPBHVSA-N
MW398.47 g/mol
LogP3.90
Rot. Bonds5

About (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 95152095) has the molecular formula C21H29F3N2O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID95152095
Molecular FormulaC21H29F3N2O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H29F3N2O2/c22-21(23,24)17-8-4-6-15(12-17)19(27)14-26-11-5-7-16(13-26)20(28)25-18-9-2-1-3-10-18/h4,6,8,12,16,18-19,27H,1-3,5,7,9-11,13-14H2,(H,25,28)/t16-,19-/m0/s1
InChIKeyZTCZIXZBNSDFHI-LPHOPBHVSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclohexyl-1-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 95152094
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62974389
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 66371942
(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 58585895
N-cyclohexyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791142
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
(3aS,6aR)-2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818592

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 95152095) is (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is O=C(NC1CCCCC1)[C@H]1CCCN(C[C@H](O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is ZTCZIXZBNSDFHI-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H29F3N2O2/c22-21(23,24)17-8-4-6-15(12-17)19(27)14-26-11-5-7-16(13-26)20(28)25-18-9-2-1-3-10-18/h4,6,8,12,16,18-19,27H,1-3,5,7,9-11,13-14H2,(H,25,28)/t16-,19-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
(3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95152095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).