[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea

C14H19ClN4O2 — CID 9208338

IUPAC[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN4O2/c15-11-2-1-3-12(10-11)18-6-8-19(9-7-18)13(20)4-5-17-14(16)21/h1-3,10H,4-9H2,(H3,16,17,21)
InChIKeyHNSMKOYFLHQFPY-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.05
Rot. Bonds4

About [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea

[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea (PubChem CID 9208338) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
PubChem CID9208338
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN4O2/c15-11-2-1-3-12(10-11)18-6-8-19(9-7-18)13(20)4-5-17-14(16)21/h1-3,10H,4-9H2,(H3,16,17,21)
InChIKeyHNSMKOYFLHQFPY-UHFFFAOYSA-N
XLogP1.05
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]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

4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019283
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)methylamino]propan-1-one
CID 109019615
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea (CID 9208338) is [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea?
The InChIKey is HNSMKOYFLHQFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-2-1-3-12(10-11)18-6-8-19(9-7-18)13(20)4-5-17-14(16)21/h1-3,10H,4-9H2,(H3,16,17,21).
What are the key properties of [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea?
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea has a molecular weight of 310.79 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 9208338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).