2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone

C22H23N3O — CID 155942155

IUPAC2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1
InChIInChI=1S/C22H23N3O/c1-16-4-2-5-17(14-16)15-21(26)25-12-9-18(10-13-25)20-8-7-19-6-3-11-23-22(19)24-20/h2-8,11,14,18H,9-10,12-13,15H2,1H3
InChIKeyXTVRSSMPSONFAS-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.89
Rot. Bonds3

About 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone

2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone (PubChem CID 155942155) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
PubChem CID155942155
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1
InChIInChI=1S/C22H23N3O/c1-16-4-2-5-17(14-16)15-21(26)25-12-9-18(10-13-25)20-8-7-19-6-3-11-23-22(19)24-20/h2-8,11,14,18H,9-10,12-13,15H2,1H3
InChIKeyXTVRSSMPSONFAS-UHFFFAOYSA-N
XLogP3.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one
CID 155799614
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 95110117
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
(1-methylpiperidin-3-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 163347903
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155942225
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone (CID 155942155) is 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is XTVRSSMPSONFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-4-2-5-17(14-16)15-21(26)25-12-9-18(10-13-25)20-8-7-19-6-3-11-23-22(19)24-20/h2-8,11,14,18H,9-10,12-13,15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 155942155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).