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

C22H26N2O2 — CID 95809673

IUPACcyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)c1
InChIInChI=1S/C22H26N2O2/c1-26-19-10-3-8-17(14-19)20-11-4-12-21(23-20)18-9-5-13-24(15-18)22(25)16-6-2-7-16/h3-4,8,10-12,14,16,18H,2,5-7,9,13,15H2,1H3/t18-/m1/s1
InChIKeyZAIKAOYOMOQOPJ-GOSISDBHSA-N
MW350.46 g/mol
LogP4.26
Rot. Bonds4

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

cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95809673) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95809673
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namecyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)c1
InChIInChI=1S/C22H26N2O2/c1-26-19-10-3-8-17(14-19)20-11-4-12-21(23-20)18-9-5-13-24(15-18)22(25)16-6-2-7-16/h3-4,8,10-12,14,16,18H,2,5-7,9,13,15H2,1H3/t18-/m1/s1
InChIKeyZAIKAOYOMOQOPJ-GOSISDBHSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110249997
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95809539
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
cyclopentyl-[3-[6-[3-(hydroxymethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249697
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255416

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 95809673) is cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone is COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)c1.
What is the InChIKey of cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is ZAIKAOYOMOQOPJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-19-10-3-8-17(14-19)20-11-4-12-21(23-20)18-9-5-13-24(15-18)22(25)16-6-2-7-16/h3-4,8,10-12,14,16,18H,2,5-7,9,13,15H2,1H3/t18-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone?
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).