N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide

C23H26ClFN2O3 — CID 21390741

IUPACN-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)ccc1C(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClFN2O3/c1-16(28)26-21-15-19(25)8-9-20(21)22(29)3-2-12-27-13-10-23(30,11-14-27)17-4-6-18(24)7-5-17/h4-9,15,30H,2-3,10-14H2,1H3,(H,26,28)
InChIKeyZIUYDDGTJHJLJA-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide

N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide (PubChem CID 21390741) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide
PubChem CID21390741
Molecular FormulaC23H26ClFN2O3
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC NameN-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)ccc1C(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClFN2O3/c1-16(28)26-21-15-19(25)8-9-20(21)22(29)3-2-12-27-13-10-23(30,11-14-27)17-4-6-18(24)7-5-17/h4-9,15,30H,2-3,10-14H2,1H3,(H,26,28)
InChIKeyZIUYDDGTJHJLJA-UHFFFAOYSA-N
XLogP4.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorobenzenediazonium chloride
CID 10252564
1,1'-biphenyl;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 86750049
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
CID 10941657
CID 10941657
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 87246802
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 2448
1-(4-chloro-2-methylphenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 20560278
4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-(4-fluoro-2-nitrophenyl)butan-1-one
CID 70620740
4-[4-(2,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155545179
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
N-[(Z)-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butylidene]amino]-4-methylbenzenesulfonamide
CID 166447475

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide?
The IUPAC name of N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide (CID 21390741) is N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide?
The canonical SMILES for N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide is CC(=O)Nc1cc(F)ccc1C(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide?
The InChIKey is ZIUYDDGTJHJLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3/c1-16(28)26-21-15-19(25)8-9-20(21)22(29)3-2-12-27-13-10-23(30,11-14-27)17-4-6-18(24)7-5-17/h4-9,15,30H,2-3,10-14H2,1H3,(H,26,28).
What are the key properties of N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide?
N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide has a molecular weight of 432.92 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorophenyl]acetamide is sourced from PubChem (CID 21390741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).