1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

C23H30N4O2 — CID 51281374

IUPAC1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18(2)24-23(29)25-21-11-7-6-10-20(21)22(28)27-16-14-26(15-17-27)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H2,24,25,29)
InChIKeyXBZHOQWYPZRTNR-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 51281374) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID51281374
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-18(2)24-23(29)25-21-11-7-6-10-20(21)22(28)27-16-14-26(15-17-27)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H2,24,25,29)
InChIKeyXBZHOQWYPZRTNR-UHFFFAOYSA-N
XLogP3.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-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-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
CID 55974794
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46561441
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 125445404
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60553495
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119542097
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55438541
[4-(2-phenylethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167836
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 51281374) is 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is XBZHOQWYPZRTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18(2)24-23(29)25-21-11-7-6-10-20(21)22(28)27-16-14-26(15-17-27)13-12-19-8-4-3-5-9-19/h3-11,18H,12-17H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 394.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 51281374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).