1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea

C37H49ClN4O3 — CID 70101097

IUPAC1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
SMILESO=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(CCCO)CC1
InChIInChI=1S/C37H49ClN4O3/c38-33-15-13-32(14-16-33)37(45)20-26-42(27-21-37)22-7-19-36(30-9-3-1-4-10-30,31-11-5-2-6-12-31)29-39-35(44)40-34-17-24-41(25-18-34)23-8-28-43/h1-6,9-16,34,43,45H,7-8,17-29H2,(H2,39,40,44)
InChIKeyRSFFGUQLCYXFGM-UHFFFAOYSA-N
MW633.28 g/mol
LogP5.54
Rot. Bonds13

About 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea

1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea (PubChem CID 70101097) has the molecular formula C37H49ClN4O3 and a molecular weight of 633.28 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
PubChem CID70101097
Molecular FormulaC37H49ClN4O3
Molecular Weight633.28 g/mol
Exact Mass632.35
IUPAC Name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea
SMILESO=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(CCCO)CC1
InChIInChI=1S/C37H49ClN4O3/c38-33-15-13-32(14-16-33)37(45)20-26-42(27-21-37)22-7-19-36(30-9-3-1-4-10-30,31-11-5-2-6-12-31)29-39-35(44)40-34-17-24-41(25-18-34)23-8-28-43/h1-6,9-16,34,43,45H,7-8,17-29H2,(H2,39,40,44)
InChIKeyRSFFGUQLCYXFGM-UHFFFAOYSA-N
XLogP5.54
TPSA88.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.28
LogP ≤ 55.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea (CID 70101097) is 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea is O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(CCCO)CC1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea?
The InChIKey is RSFFGUQLCYXFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49ClN4O3/c38-33-15-13-32(14-16-33)37(45)20-26-42(27-21-37)22-7-19-36(30-9-3-1-4-10-30,31-11-5-2-6-12-31)29-39-35(44)40-34-17-24-41(25-18-34)23-8-28-43/h1-6,9-16,34,43,45H,7-8,17-29H2,(H2,39,40,44).
What are the key properties of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea?
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-[1-(3-hydroxypropyl)piperidin-4-yl]urea has a molecular weight of 633.28 g/mol, XLogP of 5.54, 13 rotatable bonds, 4 hydrogen bond donors, and 5 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-[1-(3-hydroxypropyl)piperidin-4-yl]urea is sourced from PubChem (CID 70101097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).