N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C17H20ClF3N2O3 — CID 110291553

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(O)(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClF3N2O3/c1-16(26,12-2-4-13(18)5-3-12)10-22-14(24)11-6-8-23(9-7-11)15(25)17(19,20)21/h2-5,11,26H,6-10H2,1H3,(H,22,24)
InChIKeyIFJMOXFLRLBYOV-UHFFFAOYSA-N
MW392.81 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110291553) has the molecular formula C17H20ClF3N2O3 and a molecular weight of 392.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110291553
Molecular FormulaC17H20ClF3N2O3
Molecular Weight392.81 g/mol
Exact Mass392.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(O)(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClF3N2O3/c1-16(26,12-2-4-13(18)5-3-12)10-22-14(24)11-6-8-23(9-7-11)15(25)17(19,20)21/h2-5,11,26H,6-10H2,1H3,(H,22,24)
InChIKeyIFJMOXFLRLBYOV-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bms-817399
CID 44537841
N-{(2r)-1-[(4s)-4-(4-Chlorophenyl)-4-Hydroxy-3,3-Dimethylpiperidin-1-Yl]-3-Methyl-1-Oxobutan-2-Yl}-2-Cyclopropylacetamide
CID 57889327
N-{(2r)-1-[(4s)-4-(4-Chlorophenyl)-4-Hydroxy-3,3-Dimethylpiperidin-1-Yl]-3-Methyl-1-Oxobutan-2-Yl}-3-Hydroxy-3-Methylbutanamide
CID 57889181
((3S,4R,5R)-4-(4-chlorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)methanone
CID 46885862
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 57888834
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclobutanecarboxamide
CID 57889071
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylpropanamide
CID 57889121
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 57889314
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 57889334
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 57889660
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide
CID 57889843
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-1-[4-(2-methylamino-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 44308831

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110291553) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(O)(CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is IFJMOXFLRLBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N2O3/c1-16(26,12-2-4-13(18)5-3-12)10-22-14(24)11-6-8-23(9-7-11)15(25)17(19,20)21/h2-5,11,26H,6-10H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 392.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110291553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).