[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

C25H27N3O3 — CID 58207474

IUPAC[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(OC)c(C2CCCN(c3cccc(C(=O)c4cccnc4C)n3)C2)c1
InChIInChI=1S/C25H27N3O3/c1-17-20(8-5-13-26-17)25(29)22-9-4-10-24(27-22)28-14-6-7-18(16-28)21-15-19(30-2)11-12-23(21)31-3/h4-5,8-13,15,18H,6-7,14,16H2,1-3H3
InChIKeyHZHKPILMJVQEQU-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.42
Rot. Bonds6

About [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 58207474) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
PubChem CID58207474
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(OC)c(C2CCCN(c3cccc(C(=O)c4cccnc4C)n3)C2)c1
InChIInChI=1S/C25H27N3O3/c1-17-20(8-5-13-26-17)25(29)22-9-4-10-24(27-22)28-14-6-7-18(16-28)21-15-19(30-2)11-12-23(21)31-3/h4-5,8-13,15,18H,6-7,14,16H2,1-3H3
InChIKeyHZHKPILMJVQEQU-UHFFFAOYSA-N
XLogP4.42
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207464
(2-methyl-3-pyridinyl)-[6-[(3S)-3-phenylpiperidin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 158547259
(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 158547261
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 70783397
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160533261
6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 97271592
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
[5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 159758567
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
CID 123379335

Frequently Asked Questions

What is the IUPAC name of [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (CID 58207474) is [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is COc1ccc(OC)c(C2CCCN(c3cccc(C(=O)c4cccnc4C)n3)C2)c1.
What is the InChIKey of [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is HZHKPILMJVQEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-20(8-5-13-26-17)25(29)22-9-4-10-24(27-22)28-14-6-7-18(16-28)21-15-19(30-2)11-12-23(21)31-3/h4-5,8-13,15,18H,6-7,14,16H2,1-3H3.
What are the key properties of [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 417.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 58207474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).