N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide

C30H35ClN2O2 — CID 67718945

IUPACN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide
SMILESCC(=O)NC(CCC(C)(c1ccccc1)c1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H35ClN2O2/c1-23(34)32-28(33-21-19-30(35,20-22-33)26-13-15-27(31)16-14-26)17-18-29(2,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,28,35H,17-22H2,1-2H3,(H,32,34)
InChIKeyMCAKDDKQZZDCEE-UHFFFAOYSA-N
MW491.08 g/mol
LogP5.87
Rot. Bonds8

About N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide

N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide (PubChem CID 67718945) has the molecular formula C30H35ClN2O2 and a molecular weight of 491.08 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide
PubChem CID67718945
Molecular FormulaC30H35ClN2O2
Molecular Weight491.08 g/mol
Exact Mass490.24
IUPAC NameN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide
SMILESCC(=O)NC(CCC(C)(c1ccccc1)c1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H35ClN2O2/c1-23(34)32-28(33-21-19-30(35,20-22-33)26-13-15-27(31)16-14-26)17-18-29(2,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,28,35H,17-22H2,1-2H3,(H,32,34)
InChIKeyMCAKDDKQZZDCEE-UHFFFAOYSA-N
XLogP5.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.08
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]urea
CID 11734303
(E)-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-phenylbut-3-enoic acid
CID 10177259
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one
CID 23365028
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
CID 86285536
5-(4-chlorophenyl)-5-phenylhexanoic acid
CID 70553770
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentylpropanamide
CID 50983445
N-[4-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 13345419
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
CID 56972186
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-(4-hydroxybutyl)urea
CID 10995329
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11705066

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide (CID 67718945) is N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide is CC(=O)NC(CCC(C)(c1ccccc1)c1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide?
The InChIKey is MCAKDDKQZZDCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O2/c1-23(34)32-28(33-21-19-30(35,20-22-33)26-13-15-27(31)16-14-26)17-18-29(2,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,28,35H,17-22H2,1-2H3,(H,32,34).
What are the key properties of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide?
N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide has a molecular weight of 491.08 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4,4-diphenylpentyl]acetamide is sourced from PubChem (CID 67718945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).