3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea

C32H41ClN4O3 — CID 143836458

IUPAC3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(O[C@]2(c3ccccc3)CN(C(=O)C3CCCC3)C[C@@H]2C)CC1
InChIInChI=1S/C32H41ClN4O3/c1-3-19-37(31(39)34-28-15-13-27(33)14-16-28)29-17-20-36(21-18-29)40-32(26-11-5-4-6-12-26)23-35(22-24(32)2)30(38)25-9-7-8-10-25/h3-6,11-16,24-25,29H,1,7-10,17-23H2,2H3,(H,34,39)/t24-,32+/m0/s1
InChIKeyHLKHCVPMCDFETK-NRUKRWIHSA-N
MW565.16 g/mol
LogP6.32
Rot. Bonds8

About 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea

3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea (PubChem CID 143836458) has the molecular formula C32H41ClN4O3 and a molecular weight of 565.16 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea
PubChem CID143836458
Molecular FormulaC32H41ClN4O3
Molecular Weight565.16 g/mol
Exact Mass564.29
IUPAC Name3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(O[C@]2(c3ccccc3)CN(C(=O)C3CCCC3)C[C@@H]2C)CC1
InChIInChI=1S/C32H41ClN4O3/c1-3-19-37(31(39)34-28-15-13-27(33)14-16-28)29-17-20-36(21-18-29)40-32(26-11-5-4-6-12-26)23-35(22-24(32)2)30(38)25-9-7-8-10-25/h3-6,11-16,24-25,29H,1,7-10,17-23H2,2H3,(H,34,39)/t24-,32+/m0/s1
InChIKeyHLKHCVPMCDFETK-NRUKRWIHSA-N
XLogP6.32
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.16
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea 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

1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-3-[(4-fluorophenyl)methyl]-1-prop-2-enylurea
CID 89167335
1-[1-[[1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-3-phenyl-1-prop-2-enylurea
CID 11685173
1-cyclohexyl-3-[4-(dimethylamino)phenyl]-1-prop-2-enylurea
CID 3853475
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
CID 3833190
N-[1-[(1S,5R)-3-(cyclopentanecarbonyl)-5-phenyl-6-oxa-3-azabicyclo[3.2.0]heptan-7-yl]piperidin-4-yl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide
CID 143833860
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
CID 3597378
2,1,3-benzoxadiazol-5-ylmethyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 89167068
cyclopentyl-[(3R,4S)-3-hydroxy-3-phenyl-4-[[4-(prop-2-enylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 149358531
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea (CID 143836458) is 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea is C=CCN(C(=O)Nc1ccc(Cl)cc1)C1CCN(O[C@]2(c3ccccc3)CN(C(=O)C3CCCC3)C[C@@H]2C)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea?
The InChIKey is HLKHCVPMCDFETK-NRUKRWIHSA-N. The full InChI is InChI=1S/C32H41ClN4O3/c1-3-19-37(31(39)34-28-15-13-27(33)14-16-28)29-17-20-36(21-18-29)40-32(26-11-5-4-6-12-26)23-35(22-24(32)2)30(38)25-9-7-8-10-25/h3-6,11-16,24-25,29H,1,7-10,17-23H2,2H3,(H,34,39)/t24-,32+/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea?
3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea has a molecular weight of 565.16 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[1-[(3R,4S)-1-(cyclopentanecarbonyl)-4-methyl-3-phenylpyrrolidin-3-yl]oxypiperidin-4-yl]-1-prop-2-enylurea is sourced from PubChem (CID 143836458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).