1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea

C14H24N4O3 — CID 112991840

IUPAC1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
SMILESO=CN1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H24N4O3/c19-11-17-6-8-18(9-7-17)13(20)10-15-14(21)16-12-4-2-1-3-5-12/h11-12H,1-10H2,(H2,15,16,21)
InChIKeyNTMYYZMGXPNOTR-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.08
Rot. Bonds4

About 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea

1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea (PubChem CID 112991840) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
PubChem CID112991840
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
SMILESO=CN1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C14H24N4O3/c19-11-17-6-8-18(9-7-17)13(20)10-15-14(21)16-12-4-2-1-3-5-12/h11-12H,1-10H2,(H2,15,16,21)
InChIKeyNTMYYZMGXPNOTR-UHFFFAOYSA-N
XLogP-0.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]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-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
CID 108993560
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119354365
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 120659500
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146089
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157282
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea (CID 112991840) is 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea is O=CN1CCN(C(=O)CNC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea?
The InChIKey is NTMYYZMGXPNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c19-11-17-6-8-18(9-7-17)13(20)10-15-14(21)16-12-4-2-1-3-5-12/h11-12H,1-10H2,(H2,15,16,21).
What are the key properties of 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea?
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea has a molecular weight of 296.37 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 112991840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).