1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea

C28H26N4O2 — CID 1056346

IUPAC1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C28H26N4O2/c33-27(22-8-2-1-3-9-22)32-19-17-31(18-20-32)24-15-13-23(14-16-24)29-28(34)30-26-12-6-10-21-7-4-5-11-25(21)26/h1-16H,17-20H2,(H2,29,30,34)
InChIKeyJADOTBKCKZYBAR-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.45
Rot. Bonds4

About 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea

1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea (PubChem CID 1056346) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
PubChem CID1056346
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C28H26N4O2/c33-27(22-8-2-1-3-9-22)32-19-17-31(18-20-32)24-15-13-23(14-16-24)29-28(34)30-26-12-6-10-21-7-4-5-11-25(21)26/h1-16H,17-20H2,(H2,29,30,34)
InChIKeyJADOTBKCKZYBAR-UHFFFAOYSA-N
XLogP5.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.45
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

1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea
CID 1056375
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
4-benzoyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 25098148
ethyl 4-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]benzoate
CID 42767164
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 1056355
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 5224012
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056881
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea (CID 1056346) is 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea?
The InChIKey is JADOTBKCKZYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-27(22-8-2-1-3-9-22)32-19-17-31(18-20-32)24-15-13-23(14-16-24)29-28(34)30-26-12-6-10-21-7-4-5-11-25(21)26/h1-16H,17-20H2,(H2,29,30,34).
What are the key properties of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea?
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea has a molecular weight of 450.54 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 1056346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).