3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C15H17ClN2O3 — CID 110710680

IUPAC3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C15H17ClN2O3/c16-12-3-1-11(2-4-12)14(19)17-7-5-13(6-8-17)18-9-10-21-15(18)20/h1-4,13H,5-10H2
InChIKeyPRHWIHQVUPWPFA-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.40
Rot. Bonds2

About 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 110710680) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID110710680
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C15H17ClN2O3/c16-12-3-1-11(2-4-12)14(19)17-7-5-13(6-8-17)18-9-10-21-15(18)20/h1-4,13H,5-10H2
InChIKeyPRHWIHQVUPWPFA-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 110710680) is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1ccc(Cl)cc1)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is PRHWIHQVUPWPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-12-3-1-11(2-4-12)14(19)17-7-5-13(6-8-17)18-9-10-21-15(18)20/h1-4,13H,5-10H2.
What are the key properties of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 308.76 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).