1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea

C21H32N4O2 — CID 110621034

IUPAC1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1ccc(N2CCN(C3CCCC3)CC2)cc1)NC1CCOCC1
InChIInChI=1S/C21H32N4O2/c26-21(23-18-9-15-27-16-10-18)22-17-5-7-20(8-6-17)25-13-11-24(12-14-25)19-3-1-2-4-19/h5-8,18-19H,1-4,9-16H2,(H2,22,23,26)
InChIKeyKYFYYIRKYJKXEC-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea

1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea (PubChem CID 110621034) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
PubChem CID110621034
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
SMILESO=C(Nc1ccc(N2CCN(C3CCCC3)CC2)cc1)NC1CCOCC1
InChIInChI=1S/C21H32N4O2/c26-21(23-18-9-15-27-16-10-18)22-17-5-7-20(8-6-17)25-13-11-24(12-14-25)19-3-1-2-4-19/h5-8,18-19H,1-4,9-16H2,(H2,22,23,26)
InChIKeyKYFYYIRKYJKXEC-UHFFFAOYSA-N
XLogP3.05
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
CID 110369688
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
CID 112981733
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea (CID 110621034) is 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea is O=C(Nc1ccc(N2CCN(C3CCCC3)CC2)cc1)NC1CCOCC1.
What is the InChIKey of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
The InChIKey is KYFYYIRKYJKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-21(23-18-9-15-27-16-10-18)22-17-5-7-20(8-6-17)25-13-11-24(12-14-25)19-3-1-2-4-19/h5-8,18-19H,1-4,9-16H2,(H2,22,23,26).
What are the key properties of 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea has a molecular weight of 372.51 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 110621034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).