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

C29H34N4O2 — CID 1056375

IUPAC1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C29H34N4O2/c34-28(17-12-22-6-1-2-7-22)33-20-18-32(19-21-33)25-15-13-24(14-16-25)30-29(35)31-27-11-5-9-23-8-3-4-10-26(23)27/h3-5,8-11,13-16,22H,1-2,6-7,12,17-21H2,(H2,30,31,35)
InChIKeyOSIBYTQXHBBEAO-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.10
Rot. Bonds6

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

1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea (PubChem CID 1056375) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea
PubChem CID1056375
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C29H34N4O2/c34-28(17-12-22-6-1-2-7-22)33-20-18-32(19-21-33)25-15-13-24(14-16-25)30-29(35)31-27-11-5-9-23-8-3-4-10-26(23)27/h3-5,8-11,13-16,22H,1-2,6-7,12,17-21H2,(H2,30,31,35)
InChIKeyOSIBYTQXHBBEAO-UHFFFAOYSA-N
XLogP6.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.10
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-phenylurea
CID 42767183
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-naphthalen-1-ylurea
CID 1056346
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
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
ethyl 4-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]anilino]-4-oxobutanoate
CID 3578516
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide
CID 1056018
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 1056040

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea (CID 1056375) is 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea is O=C(Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea?
The InChIKey is OSIBYTQXHBBEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c34-28(17-12-22-6-1-2-7-22)33-20-18-32(19-21-33)25-15-13-24(14-16-25)30-29(35)31-27-11-5-9-23-8-3-4-10-26(23)27/h3-5,8-11,13-16,22H,1-2,6-7,12,17-21H2,(H2,30,31,35).
What are the key properties of 1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea?
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-naphthalen-1-ylurea has a molecular weight of 470.62 g/mol, XLogP of 6.10, 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-naphthalen-1-ylurea is sourced from PubChem (CID 1056375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).