2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C23H27N3O2 — CID 154667394

IUPAC2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ccc2c(N3CCN4C(=O)CCC4C3)cccc2c1)N1CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22-10-8-19-16-25(13-14-26(19)22)21-6-4-5-17-15-18(7-9-20(17)21)23(28)24-11-2-1-3-12-24/h4-7,9,15,19H,1-3,8,10-14,16H2
InChIKeyQVKKXBJOAZOJSB-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.28
Rot. Bonds2

About 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 154667394) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID154667394
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C(c1ccc2c(N3CCN4C(=O)CCC4C3)cccc2c1)N1CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22-10-8-19-16-25(13-14-26(19)22)21-6-4-5-17-15-18(7-9-20(17)21)23(28)24-11-2-1-3-12-24/h4-7,9,15,19H,1-3,8,10-14,16H2
InChIKeyQVKKXBJOAZOJSB-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 154667248
N-[4-(azepane-1-carbonyl)phenyl]-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 127706362
2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 154667269
2-(3-chloro-4-hydroxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863961
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451
[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
CID 154667392
2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103001618
ethane;2-(2-methylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 143850031
2-(4-fluoro-3-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857067
(3R)-1-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 82856685
2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862657
3-amino-N-methyl-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 82992411

Frequently Asked Questions

What is the IUPAC name of 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 154667394) is 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C(c1ccc2c(N3CCN4C(=O)CCC4C3)cccc2c1)N1CCCCC1.
What is the InChIKey of 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QVKKXBJOAZOJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-10-8-19-16-25(13-14-26(19)22)21-6-4-5-17-15-18(7-9-20(17)21)23(28)24-11-2-1-3-12-24/h4-7,9,15,19H,1-3,8,10-14,16H2.
What are the key properties of 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 377.49 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 154667394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).