1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea

C19H27ClN4O2 — CID 120802562

IUPAC1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
SMILESO=C(NCC(=O)N1CCNCC1c1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C19H27ClN4O2/c20-15-6-4-5-14(11-15)17-12-21-9-10-24(17)18(25)13-22-19(26)23-16-7-2-1-3-8-16/h4-6,11,16-17,21H,1-3,7-10,12-13H2,(H2,22,23,26)
InChIKeyWAQBMKIMZAXTPV-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea

1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea (PubChem CID 120802562) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
PubChem CID120802562
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea
SMILESO=C(NCC(=O)N1CCNCC1c1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C19H27ClN4O2/c20-15-6-4-5-14(11-15)17-12-21-9-10-24(17)18(25)13-22-19(26)23-16-7-2-1-3-8-16/h4-6,11,16-17,21H,1-3,7-10,12-13H2,(H2,22,23,26)
InChIKeyWAQBMKIMZAXTPV-UHFFFAOYSA-N
XLogP2.44
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 120740667
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride
CID 120740666
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 120802548
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
CID 120803277
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
[5-[2-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 120803550
1-cyclohexyl-3-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]urea;hydrochloride
CID 119473062
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-propylsulfonylethanone
CID 120801882

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea (CID 120802562) is 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea is O=C(NCC(=O)N1CCNCC1c1cccc(Cl)c1)NC1CCCCC1.
What is the InChIKey of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
The InChIKey is WAQBMKIMZAXTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c20-15-6-4-5-14(11-15)17-12-21-9-10-24(17)18(25)13-22-19(26)23-16-7-2-1-3-8-16/h4-6,11,16-17,21H,1-3,7-10,12-13H2,(H2,22,23,26).
What are the key properties of 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea?
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea has a molecular weight of 378.90 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-cyclohexylurea is sourced from PubChem (CID 120802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).