1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea

C21H23ClN4O2 — CID 120803277

IUPAC1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
SMILESO=C(Nc1cccc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1)NC1CC1
InChIInChI=1S/C21H23ClN4O2/c22-16-5-1-3-14(11-16)19-13-23-9-10-26(19)20(27)15-4-2-6-18(12-15)25-21(28)24-17-7-8-17/h1-6,11-12,17,19,23H,7-10,13H2,(H2,24,25,28)
InChIKeyZLLXWECBYOAKAY-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea

1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea (PubChem CID 120803277) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
PubChem CID120803277
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
SMILESO=C(Nc1cccc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1)NC1CC1
InChIInChI=1S/C21H23ClN4O2/c22-16-5-1-3-14(11-16)19-13-23-9-10-26(19)20(27)15-4-2-6-18(12-15)25-21(28)24-17-7-8-17/h1-6,11-12,17,19,23H,7-10,13H2,(H2,24,25,28)
InChIKeyZLLXWECBYOAKAY-UHFFFAOYSA-N
XLogP3.41
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 120802562
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
6-[2-(3-chlorophenyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 120803347
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 120802376
N-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120736985
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
[2-(3-chlorophenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 120802367
[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120803298
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea (CID 120803277) is 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea is O=C(Nc1cccc(C(=O)N2CCNCC2c2cccc(Cl)c2)c1)NC1CC1.
What is the InChIKey of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
The InChIKey is ZLLXWECBYOAKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-16-5-1-3-14(11-16)19-13-23-9-10-26(19)20(27)15-4-2-6-18(12-15)25-21(28)24-17-7-8-17/h1-6,11-12,17,19,23H,7-10,13H2,(H2,24,25,28).
What are the key properties of 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea?
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea has a molecular weight of 398.89 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 120803277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).