1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea

C20H30N4O2 — CID 170862045

IUPAC1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
SMILESCN1CCN(CC(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H30N4O2/c1-23-11-13-24(14-12-23)15-19(25)17-9-5-6-10-18(17)22-20(26)21-16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H2,21,22,26)
InChIKeyBJPKFDJFBWARGX-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.57
Rot. Bonds5

About 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea

1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea (PubChem CID 170862045) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
PubChem CID170862045
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea
SMILESCN1CCN(CC(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H30N4O2/c1-23-11-13-24(14-12-23)15-19(25)17-9-5-6-10-18(17)22-20(26)21-16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H2,21,22,26)
InChIKeyBJPKFDJFBWARGX-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]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-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-cyclohexyl-3-(2-methyl-1-oxoisoquinolin-4-yl)urea
CID 6624970
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea (CID 170862045) is 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea is CN1CCN(CC(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea?
The InChIKey is BJPKFDJFBWARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-23-11-13-24(14-12-23)15-19(25)17-9-5-6-10-18(17)22-20(26)21-16-7-3-2-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3,(H2,21,22,26).
What are the key properties of 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea?
1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea has a molecular weight of 358.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]urea is sourced from PubChem (CID 170862045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).