1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one

C19H24N4O2 — CID 95590153

IUPAC1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C19H24N4O2/c24-18(23-13-12-22-11-5-4-8-16(22)14-23)10-9-17-20-21-19(25-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2/t16-/m1/s1
InChIKeyPDXNIAQTDVIQDA-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.37
Rot. Bonds4

About 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 95590153) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID95590153
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C19H24N4O2/c24-18(23-13-12-22-11-5-4-8-16(22)14-23)10-9-17-20-21-19(25-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2/t16-/m1/s1
InChIKeyPDXNIAQTDVIQDA-MRXNPFEDSA-N
XLogP2.37
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
(2S)-1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 125130518
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
1-(4-cyclopentylpiperazin-1-yl)-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 29152989
1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
1-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55891565
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099
1-(3-methylpiperidin-1-yl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330418
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957

Frequently Asked Questions

What is the IUPAC name of 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 95590153) is 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1nnc(-c2ccccc2)o1)N1CCN2CCCC[C@@H]2C1.
What is the InChIKey of 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is PDXNIAQTDVIQDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(23-13-12-22-11-5-4-8-16(22)14-23)10-9-17-20-21-19(25-17)15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2/t16-/m1/s1.
What are the key properties of 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 95590153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).