N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

C15H25F3N2O2 — CID 99620919

IUPACN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](O)C1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-10(21)11-6-8-20(9-7-11)14(22)19-13(15(16,17)18)12-4-2-3-5-12/h10-13,21H,2-9H2,1H3,(H,19,22)/t10-,13-/m0/s1
InChIKeyBABOEJPTIYYPAT-GWCFXTLKSA-N
MW322.37 g/mol
LogP2.91
Rot. Bonds3

About N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 99620919) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID99620919
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](O)C1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-10(21)11-6-8-20(9-7-11)14(22)19-13(15(16,17)18)12-4-2-3-5-12/h10-13,21H,2-9H2,1H3,(H,19,22)/t10-,13-/m0/s1
InChIKeyBABOEJPTIYYPAT-GWCFXTLKSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468
4-ethyl-4-(hydroxymethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
CID 75436538
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
4-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75522549
3-(1-Hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992272
3-(1-Hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992273
3-(2-Hydroxybutyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992274

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (CID 99620919) is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is C[C@H](O)C1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is BABOEJPTIYYPAT-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-10(21)11-6-8-20(9-7-11)14(22)19-13(15(16,17)18)12-4-2-3-5-12/h10-13,21H,2-9H2,1H3,(H,19,22)/t10-,13-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 99620919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).