1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea

C25H32N4O2 — CID 42767183

IUPAC1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C25H32N4O2/c30-24(15-10-20-6-4-5-7-20)29-18-16-28(17-19-29)23-13-11-22(12-14-23)27-25(31)26-21-8-2-1-3-9-21/h1-3,8-9,11-14,20H,4-7,10,15-19H2,(H2,26,27,31)
InChIKeyVAKZMXIINBTPJZ-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.95
Rot. Bonds6

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

1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea (PubChem CID 42767183) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
PubChem CID42767183
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C25H32N4O2/c30-24(15-10-20-6-4-5-7-20)29-18-16-28(17-19-29)23-13-11-22(12-14-23)27-25(31)26-21-8-2-1-3-9-21/h1-3,8-9,11-14,20H,4-7,10,15-19H2,(H2,26,27,31)
InChIKeyVAKZMXIINBTPJZ-UHFFFAOYSA-N
XLogP4.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.95
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
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 1056022
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
CID 3578514
ethyl 4-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]anilino]-4-oxobutanoate
CID 3578516
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide
CID 1056018
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 1056040
3-cyclopentyl-N-[4-[4-[(3R)-3,5,5-trimethylhexanoyl]piperazin-1-yl]phenyl]propanamide
CID 1056160
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea (CID 42767183) is 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea?
The InChIKey is VAKZMXIINBTPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(15-10-20-6-4-5-7-20)29-18-16-28(17-19-29)23-13-11-22(12-14-23)27-25(31)26-21-8-2-1-3-9-21/h1-3,8-9,11-14,20H,4-7,10,15-19H2,(H2,26,27,31).
What are the key properties of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea?
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea has a molecular weight of 420.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 42767183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).