1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea

C20H24N4O — CID 110288066

IUPAC1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C20H24N4O/c25-20(21-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-12-14-24(15-13-23)19-10-11-19/h1-9,19H,10-15H2,(H2,21,22,25)
InChIKeyBHLBBVCWAIJKMF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea

1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea (PubChem CID 110288066) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
PubChem CID110288066
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C20H24N4O/c25-20(21-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-12-14-24(15-13-23)19-10-11-19/h1-9,19H,10-15H2,(H2,21,22,25)
InChIKeyBHLBBVCWAIJKMF-UHFFFAOYSA-N
XLogP3.62
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
CID 110288064
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
1-[4-(3-methoxyazetidin-1-yl)phenyl]-3-phenylurea
CID 91814617
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167774361
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea (CID 110288066) is 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea?
The InChIKey is BHLBBVCWAIJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(21-16-4-2-1-3-5-16)22-17-6-8-18(9-7-17)23-12-14-24(15-13-23)19-10-11-19/h1-9,19H,10-15H2,(H2,21,22,25).
What are the key properties of 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea?
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea has a molecular weight of 336.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 110288066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).