2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

C17H24ClN3O3 — CID 120556722

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1Oc2ccccc2N(CC(=O)NC2CCNCC2C)C1=O.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-11-9-18-8-7-13(11)19-16(21)10-20-14-5-3-4-6-15(14)23-12(2)17(20)22;/h3-6,11-13,18H,7-10H2,1-2H3,(H,19,21);1H
InChIKeyFAXYTWZXAXWBAZ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.34
Rot. Bonds3

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

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120556722) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120556722
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC1Oc2ccccc2N(CC(=O)NC2CCNCC2C)C1=O.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-11-9-18-8-7-13(11)19-16(21)10-20-14-5-3-4-6-15(14)23-12(2)17(20)22;/h3-6,11-13,18H,7-10H2,1-2H3,(H,19,21);1H
InChIKeyFAXYTWZXAXWBAZ-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.34
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-piperidin-4-ylacetamide;hydrochloride
CID 119388433
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928661
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
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
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
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119536558
N-(1-adamantyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 43816327
4-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-2-methyl-1,4-benzoxazin-3-one;hydrochloride
CID 120656732
N-[3-(aminomethyl)pentan-3-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119570584

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120556722) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is CC1Oc2ccccc2N(CC(=O)NC2CCNCC2C)C1=O.Cl.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is FAXYTWZXAXWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-11-9-18-8-7-13(11)19-16(21)10-20-14-5-3-4-6-15(14)23-12(2)17(20)22;/h3-6,11-13,18H,7-10H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.34, 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-(3-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120556722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).