[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

C24H25N3O2 — CID 58207464

IUPAC[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1cccc(C2CCCN(c3cccc(C(=O)c4cccnc4C)n3)C2)c1
InChIInChI=1S/C24H25N3O2/c1-17-21(10-5-13-25-17)24(28)22-11-4-12-23(26-22)27-14-6-8-19(16-27)18-7-3-9-20(15-18)29-2/h3-5,7,9-13,15,19H,6,8,14,16H2,1-2H3
InChIKeyUCPBLXIPIRJUQQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.41
Rot. Bonds5

About [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone

[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 58207464) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
PubChem CID58207464
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
SMILESCOc1cccc(C2CCCN(c3cccc(C(=O)c4cccnc4C)n3)C2)c1
InChIInChI=1S/C24H25N3O2/c1-17-21(10-5-13-25-17)24(28)22-11-4-12-23(26-22)27-14-6-8-19(16-27)18-7-3-9-20(15-18)29-2/h3-5,7,9-13,15,19H,6,8,14,16H2,1-2H3
InChIKeyUCPBLXIPIRJUQQ-UHFFFAOYSA-N
XLogP4.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 158547261
(2-methyl-3-pyridinyl)-[6-[(3S)-3-phenylpiperidin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 158547259
[6-[3-(2,5-dimethoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207474
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160533261
pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
CID 123379335
[5-[2-(hydroxymethyl)phenyl]-2-methyl-3-pyridinyl]-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 159758567
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110249022
[6-[4-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 158078760
2-(2,5-dimethylpyrrol-1-yl)-4-[3-(3-methoxyphenyl)piperidine-1-carbonyl]benzoic acid
CID 90154939

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone (CID 58207464) is [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is COc1cccc(C2CCCN(c3cccc(C(=O)c4cccnc4C)n3)C2)c1.
What is the InChIKey of [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is UCPBLXIPIRJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-21(10-5-13-25-17)24(28)22-11-4-12-23(26-22)27-14-6-8-19(16-27)18-7-3-9-20(15-18)29-2/h3-5,7,9-13,15,19H,6,8,14,16H2,1-2H3.
What are the key properties of [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone?
[6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 387.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-methoxyphenyl)piperidin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 58207464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).