(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone

C23H25N3O — CID 72876256

IUPAC(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCCCC3c3ccccn3)c2c1
InChIInChI=1S/C23H25N3O/c1-15-10-11-19-18(14-15)22(16(2)17(3)25-19)23(27)26-13-7-5-9-21(26)20-8-4-6-12-24-20/h4,6,8,10-12,14,21H,5,7,9,13H2,1-3H3
InChIKeyCXJOXZGOQDLVEE-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.92
Rot. Bonds2

About (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone

(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone (PubChem CID 72876256) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
PubChem CID72876256
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCCCC3c3ccccn3)c2c1
InChIInChI=1S/C23H25N3O/c1-15-10-11-19-18(14-15)22(16(2)17(3)25-19)23(27)26-13-7-5-9-21(26)20-8-4-6-12-24-20/h4,6,8,10-12,14,21H,5,7,9,13H2,1-3H3
InChIKeyCXJOXZGOQDLVEE-UHFFFAOYSA-N
XLogP4.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97137913
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone;dihydrochloride
CID 154899877
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
CID 72903841
(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873523
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
(E)-3-phenyl-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]but-2-en-1-one
CID 94645878
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
The IUPAC name of (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone (CID 72876256) is (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
The canonical SMILES for (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone is Cc1ccc2nc(C)c(C)c(C(=O)N3CCCCC3c3ccccn3)c2c1.
What is the InChIKey of (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
The InChIKey is CXJOXZGOQDLVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-10-11-19-18(14-15)22(16(2)17(3)25-19)23(27)26-13-7-5-9-21(26)20-8-4-6-12-24-20/h4,6,8,10-12,14,21H,5,7,9,13H2,1-3H3.
What are the key properties of (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone?
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 72876256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).