4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide

C22H27ClN2O2 — CID 144925800

IUPAC4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c23-20-11-9-19(10-12-20)22(27)13-16-25(17-14-22)21(26)24-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,27H,4-5,8,13-17H2,(H,24,26)
InChIKeyFIZJFCRDSZYQAF-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.36
Rot. Bonds6

About 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide

4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide (PubChem CID 144925800) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
PubChem CID144925800
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c23-20-11-9-19(10-12-20)22(27)13-16-25(17-14-22)21(26)24-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,27H,4-5,8,13-17H2,(H,24,26)
InChIKeyFIZJFCRDSZYQAF-UHFFFAOYSA-N
XLogP4.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
4-hydroxy-4-phenyl-N-(2-propylsulfanylethyl)piperidine-1-carboxamide
CID 122559873
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71701821
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide (CID 144925800) is 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide is O=C(NCCCCc1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide?
The InChIKey is FIZJFCRDSZYQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c23-20-11-9-19(10-12-20)22(27)13-16-25(17-14-22)21(26)24-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,27H,4-5,8,13-17H2,(H,24,26).
What are the key properties of 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide?
4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 144925800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).