2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C25H27N3O3 — CID 40683304

IUPAC2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-18-15-19-9-3-4-10-20(19)27(18)17-24(29)28-16-23(25(30)26-13-7-2-8-14-26)31-22-12-6-5-11-21(22)28/h3-6,9-12,15,23H,2,7-8,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyOIJUAWWCQPUBSS-HSZRJFAPSA-N
MW417.51 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 40683304) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID40683304
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-18-15-19-9-3-4-10-20(19)27(18)17-24(29)28-16-23(25(30)26-13-7-2-8-14-26)31-22-12-6-5-11-21(22)28/h3-6,9-12,15,23H,2,7-8,13-14,16-17H2,1H3/t23-/m1/s1
InChIKeyOIJUAWWCQPUBSS-HSZRJFAPSA-N
XLogP3.76
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

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Related Compounds

4-methyl-3-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-one
CID 9450417
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40792079
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
[(2S)-4-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 8944834
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
3-(benzimidazol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 25352199
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
[(2S)-4-[4-(5-methylpyrazol-1-yl)benzoyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 41250789
3-[2-oxo-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]quinazolin-4-one
CID 40789776
1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 8944744
2-chloro-2-fluoro-1-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 166430950

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 40683304) is 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is Cc1cc2ccccc2n1CC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21.
What is the InChIKey of 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is OIJUAWWCQPUBSS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-15-19-9-3-4-10-20(19)27(18)17-24(29)28-16-23(25(30)26-13-7-2-8-14-26)31-22-12-6-5-11-21(22)28/h3-6,9-12,15,23H,2,7-8,13-14,16-17H2,1H3/t23-/m1/s1.
What are the key properties of 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 417.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 40683304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).