1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea

C20H30N4O2 — CID 110287025

IUPAC1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
SMILESCN1CCN(C(=O)[C@@H](NC(=O)NC2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C20H30N4O2/c1-23-12-14-24(15-13-23)19(25)18(16-8-4-2-5-9-16)22-20(26)21-17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3,(H2,21,22,26)/t18-/m0/s1
InChIKeyHQAJNOXNIMJPBR-SFHVURJKSA-N
MW358.49 g/mol
LogP2.13
Rot. Bonds4

About 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea

1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea (PubChem CID 110287025) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
PubChem CID110287025
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
SMILESCN1CCN(C(=O)[C@@H](NC(=O)NC2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C20H30N4O2/c1-23-12-14-24(15-13-23)19(25)18(16-8-4-2-5-9-16)22-20(26)21-17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3,(H2,21,22,26)/t18-/m0/s1
InChIKeyHQAJNOXNIMJPBR-SFHVURJKSA-N
XLogP2.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]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

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea (CID 110287025) is 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea is CN1CCN(C(=O)[C@@H](NC(=O)NC2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea?
The InChIKey is HQAJNOXNIMJPBR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-23-12-14-24(15-13-23)19(25)18(16-8-4-2-5-9-16)22-20(26)21-17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3,(H2,21,22,26)/t18-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea?
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea has a molecular weight of 358.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 110287025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).