3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one

C14H18N2O2 — CID 142020638

IUPAC3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one
SMILESCN1CCC(N2Cc3ccccc3OC2=O)CC1
InChIInChI=1S/C14H18N2O2/c1-15-8-6-12(7-9-15)16-10-11-4-2-3-5-13(11)18-14(16)17/h2-5,12H,6-10H2,1H3
InChIKeyIAAUMLUDXIVEAN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.10
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one

3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one (PubChem CID 142020638) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one
PubChem CID142020638
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one
SMILESCN1CCC(N2Cc3ccccc3OC2=O)CC1
InChIInChI=1S/C14H18N2O2/c1-15-8-6-12(7-9-15)16-10-11-4-2-3-5-13(11)18-14(16)17/h2-5,12H,6-10H2,1H3
InChIKeyIAAUMLUDXIVEAN-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazepin-2-one
CID 142020551
11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
CID 102106575
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione
CID 2733656
5-methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyrido[4,3-b]indol-1-one
CID 19037551
6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482845
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583
3-(1-methylpiperidin-4-yl)-5-phenylimidazolidine-2,4-dione
CID 84571197
(6aS)-5,6,6a,7,8,11-hexahydropyrrolo[1,2-b][2]benzazepin-9-one
CID 139043408
1-methyl-4-(9H-xanthen-9-yl)piperidine
CID 14175797
2-piperidin-4-yl-1,4-dihydroisoquinolin-3-one
CID 59731888

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one (CID 142020638) is 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one is CN1CCC(N2Cc3ccccc3OC2=O)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one?
The InChIKey is IAAUMLUDXIVEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-8-6-12(7-9-15)16-10-11-4-2-3-5-13(11)18-14(16)17/h2-5,12H,6-10H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one?
3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 142020638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).