6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one

C23H23N3O2 — CID 125439162

IUPAC6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
SMILESCc1cccc([C@@H]2CCCN(C(=O)c3cccc(-c4cncc(=O)[nH]4)c3)C2)c1
InChIInChI=1S/C23H23N3O2/c1-16-5-2-6-17(11-16)20-9-4-10-26(15-20)23(28)19-8-3-7-18(12-19)21-13-24-14-22(27)25-21/h2-3,5-8,11-14,20H,4,9-10,15H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyRONAEPMMOVDLFY-HXUWFJFHSA-N
MW373.46 g/mol
LogP3.77
Rot. Bonds3

About 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one

6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one (PubChem CID 125439162) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
PubChem CID125439162
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
SMILESCc1cccc([C@@H]2CCCN(C(=O)c3cccc(-c4cncc(=O)[nH]4)c3)C2)c1
InChIInChI=1S/C23H23N3O2/c1-16-5-2-6-17(11-16)20-9-4-10-26(15-20)23(28)19-8-3-7-18(12-19)21-13-24-14-22(27)25-21/h2-3,5-8,11-14,20H,4,9-10,15H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyRONAEPMMOVDLFY-HXUWFJFHSA-N
XLogP3.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125437684
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-(3-methylphenyl)piperidin-1-yl]methanone
CID 97124854
6-[4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl]phenyl]-1H-pyrazin-2-one
CID 122561500
3-[1-(2-methyl-4-phenylpyrimidine-5-carbonyl)piperidin-3-yl]benzoic acid
CID 72896375
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one (CID 125439162) is 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one is Cc1cccc([C@@H]2CCCN(C(=O)c3cccc(-c4cncc(=O)[nH]4)c3)C2)c1.
What is the InChIKey of 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
The InChIKey is RONAEPMMOVDLFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-5-2-6-17(11-16)20-9-4-10-26(15-20)23(28)19-8-3-7-18(12-19)21-13-24-14-22(27)25-21/h2-3,5-8,11-14,20H,4,9-10,15H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one?
6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 125439162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).