[4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea

C25H25ClN4O2 — CID 86274246

IUPAC[4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea
SMILESCc1ccc(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)C(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-17-7-12-21(15-22(17)26)29-13-14-30(23(16-29)18-5-3-2-4-6-18)24(31)19-8-10-20(11-9-19)28-25(27)32/h2-12,15,23H,13-14,16H2,1H3,(H3,27,28,32)
InChIKeyVZQKNFJYZLWJMY-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.84
Rot. Bonds4

About [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea

[4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea (PubChem CID 86274246) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea
PubChem CID86274246
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name[4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea
SMILESCc1ccc(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)C(c3ccccc3)C2)cc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-17-7-12-21(15-22(17)26)29-13-14-30(23(16-29)18-5-3-2-4-6-18)24(31)19-8-10-20(11-9-19)28-25(27)32/h2-12,15,23H,13-14,16H2,1H3,(H3,27,28,32)
InChIKeyVZQKNFJYZLWJMY-UHFFFAOYSA-N
XLogP4.84
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea (CID 86274246) is [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea is Cc1ccc(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)C(c3ccccc3)C2)cc1Cl.
What is the InChIKey of [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea?
The InChIKey is VZQKNFJYZLWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-17-7-12-21(15-22(17)26)29-13-14-30(23(16-29)18-5-3-2-4-6-18)24(31)19-8-10-20(11-9-19)28-25(27)32/h2-12,15,23H,13-14,16H2,1H3,(H3,27,28,32).
What are the key properties of [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea?
[4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea has a molecular weight of 448.95 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-chloro-4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 86274246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).