1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C22H25N3O4 — CID 22521241

IUPAC1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)N2CCOc3ccccc32)CC1
InChIInChI=1S/C22H25N3O4/c1-28-19-8-4-2-6-17(19)23-21(26)16-10-12-24(13-11-16)22(27)25-14-15-29-20-9-5-3-7-18(20)25/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyAMONZZGTALZATR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.36
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 22521241) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID22521241
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)N2CCOc3ccccc32)CC1
InChIInChI=1S/C22H25N3O4/c1-28-19-8-4-2-6-17(19)23-21(26)16-10-12-24(13-11-16)22(27)25-14-15-29-20-9-5-3-7-18(20)25/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyAMONZZGTALZATR-UHFFFAOYSA-N
XLogP3.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 22521212
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 68843498
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 22521237
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
methyl 2-[[1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 22521635
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 22521241) is 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)N2CCOc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is AMONZZGTALZATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-19-8-4-2-6-17(19)23-21(26)16-10-12-24(13-11-16)22(27)25-14-15-29-20-9-5-3-7-18(20)25/h2-9,16H,10-15H2,1H3,(H,23,26).
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 22521241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).