(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone

C23H23N3O — CID 72872127

IUPAC(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)cn1
InChIInChI=1S/C23H23N3O/c1-18-15-25-21(16-24-18)22(27)26-14-8-13-23(17-26,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3
InChIKeyAEUBXIJLEGNWHN-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.01
Rot. Bonds3

About (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone

(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 72872127) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
PubChem CID72872127
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)cn1
InChIInChI=1S/C23H23N3O/c1-18-15-25-21(16-24-18)22(27)26-14-8-13-23(17-26,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3
InChIKeyAEUBXIJLEGNWHN-UHFFFAOYSA-N
XLogP4.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 72916779
1-(5-methylpyrazine-2-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86283011
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
1-[(2S)-1'-(5-methylpyrazine-2-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,3'-piperidine]-4-yl]ethanone
CID 51587167
(6R)-1-methyl-8-(5-methylpyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495317
(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 97270691
[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492777
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone (CID 72872127) is (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)cn1.
What is the InChIKey of (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is AEUBXIJLEGNWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-18-15-25-21(16-24-18)22(27)26-14-8-13-23(17-26,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3.
What are the key properties of (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 357.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 72872127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).