2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide

C24H28ClFN2O2 — CID 53384157

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClFN2O2/c25-19-9-7-18(8-10-19)24(30)13-15-28(16-14-24)22(17-5-11-20(26)12-6-17)23(29)27-21-3-1-2-4-21/h5-12,21-22,30H,1-4,13-16H2,(H,27,29)
InChIKeyUPNRNXUGDWDXTN-UHFFFAOYSA-N
MW430.95 g/mol
LogP4.56
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide (PubChem CID 53384157) has the molecular formula C24H28ClFN2O2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
PubChem CID53384157
Molecular FormulaC24H28ClFN2O2
Molecular Weight430.95 g/mol
Exact Mass430.18
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClFN2O2/c25-19-9-7-18(8-10-19)24(30)13-15-28(16-14-24)22(17-5-11-20(26)12-6-17)23(29)27-21-3-1-2-4-21/h5-12,21-22,30H,1-4,13-16H2,(H,27,29)
InChIKeyUPNRNXUGDWDXTN-UHFFFAOYSA-N
XLogP4.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(2-Hydroxy-2,2-diphenyl-acetyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide
CID 44399434
1-benzyl-3-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 57888993
N-((R)-1-((S)-4-(4-Chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl)cyclopentanecarboxamide
CID 57889423
3-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-1-cyclobutyl-1-hydroxy-1-phenylpropan-2-one
CID 10364384
(S)-1-((S)-2-Hydroxy-2-phenyl-propionyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide
CID 44393132
cis-(1S,3R)-3-amino-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentane-1-carboxamide
CID 57888746
2-chloro-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57888747
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 57888834
4-chloro-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57888895
N-[(E)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-oxobut-2-en-2-yl]benzamide
CID 57888963
3-chloro-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57888966
N-(1-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-4-(methylthio)-1-oxobutan-2-yl)benzamide
CID 57889006

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide (CID 53384157) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide is O=C(NC1CCCC1)C(c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?
The InChIKey is UPNRNXUGDWDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN2O2/c25-19-9-7-18(8-10-19)24(30)13-15-28(16-14-24)22(17-5-11-20(26)12-6-17)23(29)27-21-3-1-2-4-21/h5-12,21-22,30H,1-4,13-16H2,(H,27,29).
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide has a molecular weight of 430.95 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53384157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).