5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one

C22H21N3O2 — CID 72928446

IUPAC5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H21N3O2/c26-20-15-23-19(14-24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-15H,7,12-13,16H2,(H,24,26)
InChIKeyIRHSKQOREFHGRT-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.99
Rot. Bonds3

About 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one

5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 72928446) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID72928446
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H21N3O2/c26-20-15-23-19(14-24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-15H,7,12-13,16H2,(H,24,26)
InChIKeyIRHSKQOREFHGRT-UHFFFAOYSA-N
XLogP2.99
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 97270691
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(6S)-6-(3,3-diphenylpiperidine-1-carbonyl)piperazin-2-one
CID 97134489
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
N-[[(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97268000
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one (CID 72928446) is 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is IRHSKQOREFHGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-20-15-23-19(14-24-20)21(27)25-13-7-12-22(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-15H,7,12-13,16H2,(H,24,26).
What are the key properties of 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one?
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 359.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 72928446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).