2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one

C15H20N2O2 — CID 117405204

IUPAC2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C15H20N2O2/c18-15-7-10-19-17(15)14-3-1-12(2-4-14)11-13-5-8-16-9-6-13/h1-4,13,16H,5-11H2
InChIKeyGCCRRUBLEDIGCM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.90
Rot. Bonds3

About 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one

2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117405204) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117405204
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C15H20N2O2/c18-15-7-10-19-17(15)14-3-1-12(2-4-14)11-13-5-8-16-9-6-13/h1-4,13,16H,5-11H2
InChIKeyGCCRRUBLEDIGCM-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-(piperidin-4-ylmethyl)phenyl]piperazine-2,3-dione
CID 117485669
4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine
CID 117466215
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
CID 18539099
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
CID 117436479
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one (CID 117405204) is 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one is O=C1CCON1c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is GCCRRUBLEDIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15-7-10-19-17(15)14-3-1-12(2-4-14)11-13-5-8-16-9-6-13/h1-4,13,16H,5-11H2.
What are the key properties of 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117405204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).