3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one

C19H23N3O2 — CID 154795486

IUPAC3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C19H23N3O2/c1-13-14(2)21-18(23)17(20-13)19(24)22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,21,23)
InChIKeyCDYOYEBQLRMHPG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.48
Rot. Bonds3

About 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one

3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 154795486) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID154795486
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C19H23N3O2/c1-13-14(2)21-18(23)17(20-13)19(24)22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,21,23)
InChIKeyCDYOYEBQLRMHPG-UHFFFAOYSA-N
XLogP2.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918352
(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
CID 129315725
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
6-(4-benzylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 23825059
(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684703

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one (CID 154795486) is 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one is Cc1nc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)[nH]c1C.
What is the InChIKey of 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is CDYOYEBQLRMHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-14(2)21-18(23)17(20-13)19(24)22-10-8-16(9-11-22)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 154795486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).