3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid

C24H27N3O4 — CID 166887089

IUPAC3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC1CC(C(=O)O)c2ccc(N3CCOc4cc(C(=O)N5CCCCC5)cnc43)cc21
InChIInChI=1S/C24H27N3O4/c1-15-11-20(24(29)30)18-6-5-17(13-19(15)18)27-9-10-31-21-12-16(14-25-22(21)27)23(28)26-7-3-2-4-8-26/h5-6,12-15,20H,2-4,7-11H2,1H3,(H,29,30)
InChIKeyFCOIRRXVEPPWRX-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.91
Rot. Bonds3

About 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid

3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 166887089) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID166887089
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC1CC(C(=O)O)c2ccc(N3CCOc4cc(C(=O)N5CCCCC5)cnc43)cc21
InChIInChI=1S/C24H27N3O4/c1-15-11-20(24(29)30)18-6-5-17(13-19(15)18)27-9-10-31-21-12-16(14-25-22(21)27)23(28)26-7-3-2-4-8-26/h5-6,12-15,20H,2-4,7-11H2,1H3,(H,29,30)
InChIKeyFCOIRRXVEPPWRX-UHFFFAOYSA-N
XLogP3.91
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylate
CID 166887132
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 166886962
N,1-dimethyl-6-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]indole-2-carboxamide
CID 167390570
(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 154995264
[3-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994307
1-[2-imino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-1-pyridinyl]-3-phenylpropan-1-one
CID 166886766
2-methyl-7-[7-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154995253
7-[7-(4-fluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994598
7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 166887315

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 166887089) is 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid is CC1CC(C(=O)O)c2ccc(N3CCOc4cc(C(=O)N5CCCCC5)cnc43)cc21.
What is the InChIKey of 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is FCOIRRXVEPPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15-11-20(24(29)30)18-6-5-17(13-19(15)18)27-9-10-31-21-12-16(14-25-22(21)27)23(28)26-7-3-2-4-8-26/h5-6,12-15,20H,2-4,7-11H2,1H3,(H,29,30).
What are the key properties of 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 166887089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).