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

C22H25N3O4 — CID 22521212

IUPAC1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-28-18-6-4-5-17(15-18)23-21(26)16-9-11-24(12-10-16)22(27)25-13-14-29-20-8-3-2-7-19(20)25/h2-8,15-16H,9-14H2,1H3,(H,23,26)
InChIKeyHBKUYOXKQJLFNT-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.36
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 22521212) 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-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID22521212
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-28-18-6-4-5-17(15-18)23-21(26)16-9-11-24(12-10-16)22(27)25-13-14-29-20-8-3-2-7-19(20)25/h2-8,15-16H,9-14H2,1H3,(H,23,26)
InChIKeyHBKUYOXKQJLFNT-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-(2-methoxyphenyl)piperidine-4-carboxamide
CID 22521241
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 68843498
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 22521237
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
N-[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]cyclopropanecarboxamide
CID 31921302
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
N-(3-methoxyphenyl)-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
CID 134804209
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110712924

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 22521212) is 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HBKUYOXKQJLFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-18-6-4-5-17(15-18)23-21(26)16-9-11-24(12-10-16)22(27)25-13-14-29-20-8-3-2-7-19(20)25/h2-8,15-16H,9-14H2,1H3,(H,23,26).
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(3-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-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 22521212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).