3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one

C14H17ClN2O2 — CID 115064126

IUPAC3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNCC2)N1c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c15-11-2-1-3-12(8-11)17-13(9-19-14(17)18)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9H2
InChIKeyATIBRWSEFWOPJP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.66
Rot. Bonds2

About 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one

3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one (PubChem CID 115064126) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one
PubChem CID115064126
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNCC2)N1c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O2/c15-11-2-1-3-12(8-11)17-13(9-19-14(17)18)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9H2
InChIKeyATIBRWSEFWOPJP-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064304
3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064330
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115064326
methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate
CID 122373868
3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064356
3-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 115007188
1-[(3-chlorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007169
3-(3-hydroxyphenyl)-5-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064883
1-(3-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505504
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67217943

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one (CID 115064126) is 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one is O=C1OCC(C2CCNCC2)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one?
The InChIKey is ATIBRWSEFWOPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-2-1-3-12(8-11)17-13(9-19-14(17)18)10-4-6-16-7-5-10/h1-3,8,10,13,16H,4-7,9H2.
What are the key properties of 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one?
3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).