2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone

C25H25N3O3 — CID 147928140

IUPAC2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone
SMILESCN1CCC(C(=O)c2cccc(CC(=O)c3cccnc3Oc3ccccc3)n2)CC1
InChIInChI=1S/C25H25N3O3/c1-28-15-12-18(13-16-28)24(30)22-11-5-7-19(27-22)17-23(29)21-10-6-14-26-25(21)31-20-8-3-2-4-9-20/h2-11,14,18H,12-13,15-17H2,1H3
InChIKeyIJIHCASQGOSFHW-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.22
Rot. Bonds7

About 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone

2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone (PubChem CID 147928140) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone
PubChem CID147928140
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone
SMILESCN1CCC(C(=O)c2cccc(CC(=O)c3cccnc3Oc3ccccc3)n2)CC1
InChIInChI=1S/C25H25N3O3/c1-28-15-12-18(13-16-28)24(30)22-11-5-7-19(27-22)17-23(29)21-10-6-14-26-25(21)31-20-8-3-2-4-9-20/h2-11,14,18H,12-13,15-17H2,1H3
InChIKeyIJIHCASQGOSFHW-UHFFFAOYSA-N
XLogP4.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone with MolForge

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]ethanone
CID 153008612
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 71877134
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 134818199
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;dihydrate;dihydrochloride
CID 163210129
[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
CID 175007946
(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone
CID 14885588
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
N-(1-methylpiperidin-4-yl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 91571975
N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone (CID 147928140) is 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone is CN1CCC(C(=O)c2cccc(CC(=O)c3cccnc3Oc3ccccc3)n2)CC1.
What is the InChIKey of 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone?
The InChIKey is IJIHCASQGOSFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-28-15-12-18(13-16-28)24(30)22-11-5-7-19(27-22)17-23(29)21-10-6-14-26-25(21)31-20-8-3-2-4-9-20/h2-11,14,18H,12-13,15-17H2,1H3.
What are the key properties of 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone?
2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone has a molecular weight of 415.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]-1-(2-phenoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 147928140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).