2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C23H28N4O2 — CID 154667248

IUPAC2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(c3cccc4cc(C(=O)N5CCCCC5)ccc34)CCN2C1=O
InChIInChI=1S/C23H28N4O2/c1-24-15-19-16-26(12-13-27(19)23(24)29)21-7-5-6-17-14-18(8-9-20(17)21)22(28)25-10-3-2-4-11-25/h5-9,14,19H,2-4,10-13,15-16H2,1H3
InChIKeySZNSIZNLJNPFJM-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 154667248) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID154667248
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(c3cccc4cc(C(=O)N5CCCCC5)ccc34)CCN2C1=O
InChIInChI=1S/C23H28N4O2/c1-24-15-19-16-26(12-13-27(19)23(24)29)21-7-5-6-17-14-18(8-9-20(17)21)22(28)25-10-3-2-4-11-25/h5-9,14,19H,2-4,10-13,15-16H2,1H3
InChIKeySZNSIZNLJNPFJM-UHFFFAOYSA-N
XLogP3.02
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 154667394
2-methyl-8-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 154667269
[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
CID 154667392
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 154667237
7-(azepane-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659115
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 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) is 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CC2CN(c3cccc4cc(C(=O)N5CCCCC5)ccc34)CCN2C1=O.
What is the InChIKey of 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is SZNSIZNLJNPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-24-15-19-16-26(12-13-27(19)23(24)29)21-7-5-6-17-14-18(8-9-20(17)21)22(28)25-10-3-2-4-11-25/h5-9,14,19H,2-4,10-13,15-16H2,1H3.
What are the key properties of 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 154667248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).