1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea

C16H22ClN5O2 — CID 7552068

IUPAC1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
SMILESCN1CCN(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H22ClN5O2/c1-20-6-8-21(9-7-20)19-16(24)18-13-10-15(23)22(11-13)14-4-2-12(17)3-5-14/h2-5,13H,6-11H2,1H3,(H2,18,19,24)/t13-/m0/s1
InChIKeyMPWLLFLPDGFTTR-ZDUSSCGKSA-N
MW351.84 g/mol
LogP0.91
Rot. Bonds3

About 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea

1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea (PubChem CID 7552068) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
PubChem CID7552068
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
SMILESCN1CCN(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H22ClN5O2/c1-20-6-8-21(9-7-20)19-16(24)18-13-10-15(23)22(11-13)14-4-2-12(17)3-5-14/h2-5,13H,6-11H2,1H3,(H2,18,19,24)/t13-/m0/s1
InChIKeyMPWLLFLPDGFTTR-ZDUSSCGKSA-N
XLogP0.91
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-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

Related Compounds

1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea
CID 43969825
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 7548798
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 43970430
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
The IUPAC name of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea (CID 7552068) is 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea.
What is the SMILES notation for 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
The canonical SMILES for 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea is CN1CCN(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
The InChIKey is MPWLLFLPDGFTTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-20-6-8-21(9-7-20)19-16(24)18-13-10-15(23)22(11-13)14-4-2-12(17)3-5-14/h2-5,13H,6-11H2,1H3,(H2,18,19,24)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea?
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea has a molecular weight of 351.84 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylpiperazin-1-yl)urea is sourced from PubChem (CID 7552068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).