N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C23H27N3O4 — CID 138996511

IUPACN-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1cccc(N2CCC(NC(=O)CN3C(=O)C(C)Oc4ccccc43)CC2)c1
InChIInChI=1S/C23H27N3O4/c1-16-23(28)26(20-8-3-4-9-21(20)30-16)15-22(27)24-17-10-12-25(13-11-17)18-6-5-7-19(14-18)29-2/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyRJBYFUUEXUILSN-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 138996511) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID138996511
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1cccc(N2CCC(NC(=O)CN3C(=O)C(C)Oc4ccccc43)CC2)c1
InChIInChI=1S/C23H27N3O4/c1-16-23(28)26(20-8-3-4-9-21(20)30-16)15-22(27)24-17-10-12-25(13-11-17)18-6-5-7-19(14-18)29-2/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyRJBYFUUEXUILSN-UHFFFAOYSA-N
XLogP2.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388433
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928661
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 40696474
N-cyclopropyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051566
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
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
(2S)-2-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 25346949
N-[(3-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46650923
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-[(2S)-butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28522105

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 138996511) is N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1cccc(N2CCC(NC(=O)CN3C(=O)C(C)Oc4ccccc43)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is RJBYFUUEXUILSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-23(28)26(20-8-3-4-9-21(20)30-16)15-22(27)24-17-10-12-25(13-11-17)18-6-5-7-19(14-18)29-2/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 138996511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).