2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one

C17H23ClN2O — CID 79916266

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H23ClN2O/c1-13(17(21)14-5-7-15(18)8-6-14)20-11-10-19-9-3-2-4-16(19)12-20/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyPBYYEGQLQXUGGN-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.08
Rot. Bonds3

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one (PubChem CID 79916266) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
PubChem CID79916266
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H23ClN2O/c1-13(17(21)14-5-7-15(18)8-6-14)20-11-10-19-9-3-2-4-16(19)12-20/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyPBYYEGQLQXUGGN-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-methylphenyl)propan-1-one
CID 79943973
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2,4-difluorophenyl)propan-1-one
CID 79929510
(2S)-2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 124777590
1-(5-chlorothiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63170226
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 62037525
4-(4-chlorophenyl)-3-(4-cyclohexylpiperazin-1-yl)-4-oxobutanal;hydrochloride
CID 87660144
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one (CID 79916266) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one is CC(C(=O)c1ccc(Cl)cc1)N1CCN2CCCCC2C1.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one?
The InChIKey is PBYYEGQLQXUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-13(17(21)14-5-7-15(18)8-6-14)20-11-10-19-9-3-2-4-16(19)12-20/h5-8,13,16H,2-4,9-12H2,1H3.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one has a molecular weight of 306.84 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one is sourced from PubChem (CID 79916266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).