2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride

C16H22ClN3O3 — CID 119388433

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCC1Oc2ccccc2N(CC(=O)NC2CCNCC2)C1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-11-16(21)19(13-4-2-3-5-14(13)22-11)10-15(20)18-12-6-8-17-9-7-12;/h2-5,11-12,17H,6-10H2,1H3,(H,18,20);1H
InChIKeyBFJLQZQHTSTWKW-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.09
Rot. Bonds3

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119388433) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119388433
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCC1Oc2ccccc2N(CC(=O)NC2CCNCC2)C1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-11-16(21)19(13-4-2-3-5-14(13)22-11)10-15(20)18-12-6-8-17-9-7-12;/h2-5,11-12,17H,6-10H2,1H3,(H,18,20);1H
InChIKeyBFJLQZQHTSTWKW-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556722
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928661
N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 138996511
N-(dicyclopropylmethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24620792
N-(dicyclopropylmethyl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 30263890
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
4-[3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 125149910

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride (CID 119388433) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride is CC1Oc2ccccc2N(CC(=O)NC2CCNCC2)C1=O.Cl.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is BFJLQZQHTSTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-11-16(21)19(13-4-2-3-5-14(13)22-11)10-15(20)18-12-6-8-17-9-7-12;/h2-5,11-12,17H,6-10H2,1H3,(H,18,20);1H.
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119388433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).