1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one

C17H18N2O3 — CID 92549022

IUPAC1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one
SMILESCC(=O)N1CCC2(CC1)Cn1c(cc3ccccc31)C(=O)O2
InChIInChI=1S/C17H18N2O3/c1-12(20)18-8-6-17(7-9-18)11-19-14-5-3-2-4-13(14)10-15(19)16(21)22-17/h2-5,10H,6-9,11H2,1H3
InChIKeyHGOHJNBAIWRNFJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.19
Rot. Bonds

About 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one

1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one (PubChem CID 92549022) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one
PubChem CID92549022
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one
SMILESCC(=O)N1CCC2(CC1)Cn1c(cc3ccccc31)C(=O)O2
InChIInChI=1S/C17H18N2O3/c1-12(20)18-8-6-17(7-9-18)11-19-14-5-3-2-4-13(14)10-15(19)16(21)22-17/h2-5,10H,6-9,11H2,1H3
InChIKeyHGOHJNBAIWRNFJ-UHFFFAOYSA-N
XLogP2.19
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
CID 100760781
1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 10559092
9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 119062413
1,1-dimethyl-[1,3]oxazolo[3,4-a]indol-3-one
CID 11183268
1-[1'-(oxane-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl]ethanone
CID 95853993
(3R)-2-ethyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740158
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
CID 134788094
(3R)-N,2-bis[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740147
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111
3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70714965
(3R)-N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739922

Frequently Asked Questions

What is the IUPAC name of 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one?
The IUPAC name of 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one (CID 92549022) is 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one is CC(=O)N1CCC2(CC1)Cn1c(cc3ccccc31)C(=O)O2.
What is the InChIKey of 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one?
The InChIKey is HGOHJNBAIWRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(20)18-8-6-17(7-9-18)11-19-14-5-3-2-4-13(14)10-15(19)16(21)22-17/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one?
1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one has a molecular weight of 298.34 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one is sourced from PubChem (CID 92549022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).