[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone

C20H24N2O3 — CID 95590181

IUPAC[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccccc2)o1)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C20H24N2O3/c23-20(22-13-12-21-11-5-4-6-16(21)14-22)19-10-9-18(25-19)15-24-17-7-2-1-3-8-17/h1-3,7-10,16H,4-6,11-15H2/t16-/m1/s1
InChIKeyBTCOCZCRQIFOCI-MRXNPFEDSA-N
MW340.42 g/mol
LogP3.17
Rot. Bonds4

About [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone

[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 95590181) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
PubChem CID95590181
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccccc2)o1)N1CCN2CCCC[C@@H]2C1
InChIInChI=1S/C20H24N2O3/c23-20(22-13-12-21-11-5-4-6-16(21)14-22)19-10-9-18(25-19)15-24-17-7-2-1-3-8-17/h1-3,7-10,16H,4-6,11-15H2/t16-/m1/s1
InChIKeyBTCOCZCRQIFOCI-MRXNPFEDSA-N
XLogP3.17
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 100839263
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 94121385
tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 46513396
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 95589953
[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 26872270
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214

Frequently Asked Questions

What is the IUPAC name of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone (CID 95590181) is [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone is O=C(c1ccc(COc2ccccc2)o1)N1CCN2CCCC[C@@H]2C1.
What is the InChIKey of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is BTCOCZCRQIFOCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(22-13-12-21-11-5-4-6-16(21)14-22)19-10-9-18(25-19)15-24-17-7-2-1-3-8-17/h1-3,7-10,16H,4-6,11-15H2/t16-/m1/s1.
What are the key properties of [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone?
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[5-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 95590181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).