3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one

C18H25N3O2 — CID 171489467

IUPAC3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O2/c22-18-21(13-14-23-18)17-7-5-16(6-8-17)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2
InChIKeyVAPLYVNKMXKVPP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.71
Rot. Bonds3

About 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one

3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 171489467) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID171489467
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O2/c22-18-21(13-14-23-18)17-7-5-16(6-8-17)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2
InChIKeyVAPLYVNKMXKVPP-UHFFFAOYSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
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

3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
4-(4-cyclopropylpiperazin-1-yl)benzenethiol
CID 91011479
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one
CID 58430563
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 171489467) is 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VAPLYVNKMXKVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18-21(13-14-23-18)17-7-5-16(6-8-17)20-11-9-19(10-12-20)15-3-1-2-4-15/h5-8,15H,1-4,9-14H2.
What are the key properties of 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one?
3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171489467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).