3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide

C16H21N3O3 — CID 119555122

IUPAC3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NCCC3CCCNC3)cc2N1
InChIInChI=1S/C16H21N3O3/c20-15-10-22-14-4-3-12(8-13(14)19-15)16(21)18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2,(H,18,21)(H,19,20)
InChIKeyBWEHMMKPTWAEBK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.14
Rot. Bonds4

About 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide

3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 119555122) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
PubChem CID119555122
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NCCC3CCCNC3)cc2N1
InChIInChI=1S/C16H21N3O3/c20-15-10-22-14-4-3-12(8-13(14)19-15)16(21)18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2,(H,18,21)(H,19,20)
InChIKeyBWEHMMKPTWAEBK-UHFFFAOYSA-N
XLogP1.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 119558128
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119554967
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
CID 103162383
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 53362064
2-oxo-N-(2-pyrrolidin-3-ylethyl)-1,3-dihydroindole-5-carboxamide
CID 102711522
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119533362
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide (CID 119555122) is 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)NCCC3CCCNC3)cc2N1.
What is the InChIKey of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is BWEHMMKPTWAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-10-22-14-4-3-12(8-13(14)19-15)16(21)18-7-5-11-2-1-6-17-9-11/h3-4,8,11,17H,1-2,5-7,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide?
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 119555122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).