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

C15H21N3O2 — CID 79708178

IUPAC3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCC2CCNCC2)c1
InChIInChI=1S/C15H21N3O2/c19-15-18(8-9-20-15)14-3-1-2-13(10-14)17-11-12-4-6-16-7-5-12/h1-3,10,12,16-17H,4-9,11H2
InChIKeyHAYJGJUIOWPRQJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds4

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

3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one (PubChem CID 79708178) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
PubChem CID79708178
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCC2CCNCC2)c1
InChIInChI=1S/C15H21N3O2/c19-15-18(8-9-20-15)14-3-1-2-13(10-14)17-11-12-4-6-16-7-5-12/h1-3,10,12,16-17H,4-9,11H2
InChIKeyHAYJGJUIOWPRQJ-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 63740911
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 107131674
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727255
3-[3-(1-cyclobutylpropan-2-ylamino)phenyl]-1,3-oxazolidin-2-one
CID 115918921
tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
CID 102562050
3-[3-[(3-ethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 64500021
(3S)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-3-carboxamide
CID 81118205
3-[3-[(4-bromothiophen-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727311
4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile
CID 115743208
3-(piperidin-4-ylmethylamino)benzoic acid
CID 79707352
3-[3-(pyridin-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43727252

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one (CID 79708178) is 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(NCC2CCNCC2)c1.
What is the InChIKey of 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HAYJGJUIOWPRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15-18(8-9-20-15)14-3-1-2-13(10-14)17-11-12-4-6-16-7-5-12/h1-3,10,12,16-17H,4-9,11H2.
What are the key properties of 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 79708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).