1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide

C18H25N3O3 — CID 22521662

IUPAC1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCC1CN(C(=O)N2CCC(C(=O)NC)CC2)c2ccccc2O1
InChIInChI=1S/C18H25N3O3/c1-3-14-12-21(15-6-4-5-7-16(15)24-14)18(23)20-10-8-13(9-11-20)17(22)19-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,22)
InChIKeyINULCEDYELFXII-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.24
Rot. Bonds2

About 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide

1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 22521662) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID22521662
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCC1CN(C(=O)N2CCC(C(=O)NC)CC2)c2ccccc2O1
InChIInChI=1S/C18H25N3O3/c1-3-14-12-21(15-6-4-5-7-16(15)24-14)18(23)20-10-8-13(9-11-20)17(22)19-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,22)
InChIKeyINULCEDYELFXII-UHFFFAOYSA-N
XLogP2.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 22521635
[1-[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 92682553
N-[(3-bromophenyl)methyl]-1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
CID 22521679
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N-methylpiperidine-1,4-dicarboxamide
CID 71900515
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 22521712
1-[(2R)-2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 92703958
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 22521732
N-[(2-ethoxyphenyl)methyl]-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
CID 22521205
1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 22521734
[1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 22521172
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]piperidine-4-carboxamide
CID 92682446
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
CID 46272171

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide (CID 22521662) is 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide is CCC1CN(C(=O)N2CCC(C(=O)NC)CC2)c2ccccc2O1.
What is the InChIKey of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is INULCEDYELFXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-14-12-21(15-6-4-5-7-16(15)24-14)18(23)20-10-8-13(9-11-20)17(22)19-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide?
1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 22521662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).