2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one

C20H24ClN3O3 — CID 138740251

IUPAC2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one
SMILESO=C1CCC2CN(C(=O)c3cccc(N4CC5(COC5)C4)c3Cl)CCN2C1
InChIInChI=1S/C20H24ClN3O3/c21-18-16(2-1-3-17(18)24-10-20(11-24)12-27-13-20)19(26)23-7-6-22-9-15(25)5-4-14(22)8-23/h1-3,14H,4-13H2
InChIKeyCXDRMGCPLPMCKW-UHFFFAOYSA-N
MW389.88 g/mol
LogP1.67
Rot. Bonds2

About 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one

2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one (PubChem CID 138740251) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one.

Molecular Properties

Compound Name2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one
PubChem CID138740251
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one
SMILESO=C1CCC2CN(C(=O)c3cccc(N4CC5(COC5)C4)c3Cl)CCN2C1
InChIInChI=1S/C20H24ClN3O3/c21-18-16(2-1-3-17(18)24-10-20(11-24)12-27-13-20)19(26)23-7-6-22-9-15(25)5-4-14(22)8-23/h1-3,14H,4-13H2
InChIKeyCXDRMGCPLPMCKW-UHFFFAOYSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one with MolForge

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Launch Full Analysis

Related Compounds

potassium 2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoate
CID 156863444
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
[(7R,9aS)-7-(4-chlorophenyl)-7-methoxy-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-(2-chloro-3-methoxyphenyl)methanone
CID 138740607
(2-chloro-3-methoxyphenyl)-[7-(4-chlorophenyl)-7-fluoro-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]methanone
CID 138740331
3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-(2-chloro-3-methoxyphenyl)methanone
CID 155573258
[(7R,9aR)-7-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-chloro-3-methylphenyl)methanone
CID 138740245
1-[4-[2-chloro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]ethanone
CID 145286557
[(7R,9aS)-7-(3,4-difluorophenyl)-7-hydroxy-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-(2-chloro-3-methoxyphenyl)methanone
CID 155457052
3-[(7R,9aR)-7-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-2-chlorobenzonitrile
CID 138740520
2-chloro-3-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]benzoic acid
CID 163206835
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
CID 175603562
4-[2-chloro-3-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carbonyl chloride
CID 135342163

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one?
The IUPAC name of 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one (CID 138740251) is 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one.
What is the SMILES notation for 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one?
The canonical SMILES for 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one is O=C1CCC2CN(C(=O)c3cccc(N4CC5(COC5)C4)c3Cl)CCN2C1.
What is the InChIKey of 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one?
The InChIKey is CXDRMGCPLPMCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-18-16(2-1-3-17(18)24-10-20(11-24)12-27-13-20)19(26)23-7-6-22-9-15(25)5-4-14(22)8-23/h1-3,14H,4-13H2.
What are the key properties of 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one?
2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one has a molecular weight of 389.88 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoyl]-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one is sourced from PubChem (CID 138740251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).