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

C34H37ClN4O2 — CID 10875472

IUPAC1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea
SMILESO=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1
InChIInChI=1S/C34H37ClN4O2/c35-30-14-12-29(13-15-30)34(41)19-24-39(25-20-34)23-7-18-33(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-37-32(40)38-31-16-21-36-22-17-31/h1-6,8-17,21-22,41H,7,18-20,23-26H2,(H2,36,37,38,40)
InChIKeyFMFBRILFYGRZPB-UHFFFAOYSA-N
MW569.15 g/mol
LogP6.61
Rot. Bonds10

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

1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea (PubChem CID 10875472) has the molecular formula C34H37ClN4O2 and a molecular weight of 569.15 g/mol. Its IUPAC name is 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea
PubChem CID10875472
Molecular FormulaC34H37ClN4O2
Molecular Weight569.15 g/mol
Exact Mass568.26
IUPAC Name1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea
SMILESO=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1
InChIInChI=1S/C34H37ClN4O2/c35-30-14-12-29(13-15-30)34(41)19-24-39(25-20-34)23-7-18-33(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-37-32(40)38-31-16-21-36-22-17-31/h1-6,8-17,21-22,41H,7,18-20,23-26H2,(H2,36,37,38,40)
InChIKeyFMFBRILFYGRZPB-UHFFFAOYSA-N
XLogP6.61
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.15
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

CID 139792700
CID 139792700
CID 139792701
CID 139792701
CID 139792712
CID 139792712
CID 139792715
CID 139792715
CID 139792716
CID 139792716
CID 139792720
CID 139792720
CID 139792727
CID 139792727
CID 139792729
CID 139792729
CID 139792735
CID 139792735
CID 141588647
CID 141588647
CID 17830309
CID 17830309
CID 17830418
CID 17830418

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea (CID 10875472) is 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea is O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1.
What is the InChIKey of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea?
The InChIKey is FMFBRILFYGRZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClN4O2/c35-30-14-12-29(13-15-30)34(41)19-24-39(25-20-34)23-7-18-33(27-8-3-1-4-9-27,28-10-5-2-6-11-28)26-37-32(40)38-31-16-21-36-22-17-31/h1-6,8-17,21-22,41H,7,18-20,23-26H2,(H2,36,37,38,40).
What are the key properties of 1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea?
1-[5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentyl]-3-pyridin-4-ylurea has a molecular weight of 569.15 g/mol, XLogP of 6.61, 10 rotatable bonds, 3 hydrogen bond donors, and 4 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-pyridin-4-ylurea is sourced from PubChem (CID 10875472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).