[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea

C20H24N4O2 — CID 134011762

IUPAC[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c21-20(26)22-18-8-6-17(7-9-18)19(25)24-14-12-23(13-15-24)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H3,21,22,26)
InChIKeyOQXNMCCMJZVQRI-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.18
Rot. Bonds5

About [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea

[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea (PubChem CID 134011762) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
PubChem CID134011762
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c21-20(26)22-18-8-6-17(7-9-18)19(25)24-14-12-23(13-15-24)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H3,21,22,26)
InChIKeyOQXNMCCMJZVQRI-UHFFFAOYSA-N
XLogP2.18
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
CID 48851794
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498
[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]urea
CID 78777861
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
N-(4-chlorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110115

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea (CID 134011762) is [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea is NC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea?
The InChIKey is OQXNMCCMJZVQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-20(26)22-18-8-6-17(7-9-18)19(25)24-14-12-23(13-15-24)11-10-16-4-2-1-3-5-16/h1-9H,10-15H2,(H3,21,22,26).
What are the key properties of [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea?
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea has a molecular weight of 352.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 134011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).