1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone

C15H20N2O2 — CID 61260164

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCOc2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15(11-12-5-7-16-8-6-12)17-9-10-19-14-4-2-1-3-13(14)17/h1-4,12,16H,5-11H2
InChIKeyOLDVCMHUTULXOU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone (PubChem CID 61260164) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
PubChem CID61260164
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCOc2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15(11-12-5-7-16-8-6-12)17-9-10-19-14-4-2-1-3-13(14)17/h1-4,12,16H,5-11H2
InChIKeyOLDVCMHUTULXOU-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-2-ylethanone
CID 66426809
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R)-pyrrolidin-3-yl]oxyethanone
CID 154868078
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 62838358
3-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70738140
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119733415
2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 75414740
2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone
CID 63128645
(3aS,7aS)-2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98412866
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119730672
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 155911512

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone (CID 61260164) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1CCOc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone?
The InChIKey is OLDVCMHUTULXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(11-12-5-7-16-8-6-12)17-9-10-19-14-4-2-1-3-13(14)17/h1-4,12,16H,5-11H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone has a molecular weight of 260.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 61260164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).