1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea

C10H20N4O2 — CID 61176089

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N4O2/c1-8(2)13-10(16)12-7-9(15)14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3,(H2,12,13,16)
InChIKeyFUQFMRDYLBWXOE-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.87
Rot. Bonds3

About 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea (PubChem CID 61176089) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
PubChem CID61176089
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N4O2/c1-8(2)13-10(16)12-7-9(15)14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3,(H2,12,13,16)
InChIKeyFUQFMRDYLBWXOE-UHFFFAOYSA-N
XLogP-0.87
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea 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-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylurea
CID 112991952
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408614
(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 103927700
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
CID 61408091
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119416513
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea (CID 61176089) is 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea?
The InChIKey is FUQFMRDYLBWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(2)13-10(16)12-7-9(15)14-5-3-11-4-6-14/h8,11H,3-7H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea?
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea has a molecular weight of 228.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea is sourced from PubChem (CID 61176089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).