1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea

C32H40ClN3O2 — CID 11060510

IUPAC1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40ClN3O2/c1-25(2)35-30(37)34-24-31(26-10-5-3-6-11-26,27-12-7-4-8-13-27)18-9-21-36-22-19-32(38,20-23-36)28-14-16-29(33)17-15-28/h3-8,10-17,25,38H,9,18-24H2,1-2H3,(H2,34,35,37)
InChIKeyBKEFXMVWRHAVTF-UHFFFAOYSA-N
MW534.14 g/mol
LogP6.10
Rot. Bonds10

About 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea

1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea (PubChem CID 11060510) has the molecular formula C32H40ClN3O2 and a molecular weight of 534.14 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea
PubChem CID11060510
Molecular FormulaC32H40ClN3O2
Molecular Weight534.14 g/mol
Exact Mass533.28
IUPAC Name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H40ClN3O2/c1-25(2)35-30(37)34-24-31(26-10-5-3-6-11-26,27-12-7-4-8-13-27)18-9-21-36-22-19-32(38,20-23-36)28-14-16-29(33)17-15-28/h3-8,10-17,25,38H,9,18-24H2,1-2H3,(H2,34,35,37)
InChIKeyBKEFXMVWRHAVTF-UHFFFAOYSA-N
XLogP6.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.14
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea with MolForge

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Related Compounds

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CID 9805944
Bms-817399
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CID 44543660
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
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-piperidin-4-yl-urea
CID 9959839
1-(5-Amino-4,4-diphenyl-pentyl)-4-(4-chloro-phenyl)-piperidin-4-ol
CID 10623381
1-(1-Benzyl-piperidin-4-yl)-3-{5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-urea
CID 10974378
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(3-hydroxy-propyl)-urea
CID 10995218
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(4-hydroxy-butyl)-urea
CID 10995329
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2-piperidin-1-yl-ethyl)-urea
CID 11104005
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2-dimethylamino-ethyl)-urea
CID 11813735
N-(2,4-dichlorobenzyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea (CID 11060510) is 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea?
The InChIKey is BKEFXMVWRHAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40ClN3O2/c1-25(2)35-30(37)34-24-31(26-10-5-3-6-11-26,27-12-7-4-8-13-27)18-9-21-36-22-19-32(38,20-23-36)28-14-16-29(33)17-15-28/h3-8,10-17,25,38H,9,18-24H2,1-2H3,(H2,34,35,37).
What are the key properties of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea?
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea has a molecular weight of 534.14 g/mol, XLogP of 6.10, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-propan-2-ylurea is sourced from PubChem (CID 11060510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).