1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea

C14H20N4O3 — CID 51083442

IUPAC1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
SMILESO=C1CN(c2ccc(CNC(=O)NCCO)cc2)CCN1
InChIInChI=1S/C14H20N4O3/c19-8-6-16-14(21)17-9-11-1-3-12(4-2-11)18-7-5-15-13(20)10-18/h1-4,19H,5-10H2,(H,15,20)(H2,16,17,21)
InChIKeyOBVUUXUTWFRCKS-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.59
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea

1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea (PubChem CID 51083442) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
PubChem CID51083442
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
SMILESO=C1CN(c2ccc(CNC(=O)NCCO)cc2)CCN1
InChIInChI=1S/C14H20N4O3/c19-8-6-16-14(21)17-9-11-1-3-12(4-2-11)18-7-5-15-13(20)10-18/h1-4,19H,5-10H2,(H,15,20)(H2,16,17,21)
InChIKeyOBVUUXUTWFRCKS-UHFFFAOYSA-N
XLogP-0.59
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]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-(furan-2-ylmethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 38285248
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 38289897
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 53498310
(2S)-2-acetamido-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 95766756
1-benzyl-2-methyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 110954064
N-[3-[[[4-(3-oxopiperazin-1-yl)phenyl]methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 38314914
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55681416
N',3,3-trimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739401
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
2-benzyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide
CID 55664223
5-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047182
4-(4-ethylphenyl)piperazin-2-one
CID 117005105

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea (CID 51083442) is 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea is O=C1CN(c2ccc(CNC(=O)NCCO)cc2)CCN1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea?
The InChIKey is OBVUUXUTWFRCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-8-6-16-14(21)17-9-11-1-3-12(4-2-11)18-7-5-15-13(20)10-18/h1-4,19H,5-10H2,(H,15,20)(H2,16,17,21).
What are the key properties of 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea?
1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea has a molecular weight of 292.34 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 51083442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).