(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C19H23F2N3O2 — CID 70729454

IUPAC(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCOc1ccc(F)c(F)c1C(=O)N1CCCCC1CCn1ccnc1C
InChIInChI=1S/C19H23F2N3O2/c1-13-22-9-12-23(13)11-8-14-5-3-4-10-24(14)19(25)17-16(26-2)7-6-15(20)18(17)21/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3
InChIKeyAGKJFEQQTRRQDE-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.56
Rot. Bonds5

About (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 70729454) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID70729454
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCOc1ccc(F)c(F)c1C(=O)N1CCCCC1CCn1ccnc1C
InChIInChI=1S/C19H23F2N3O2/c1-13-22-9-12-23(13)11-8-14-5-3-4-10-24(14)19(25)17-16(26-2)7-6-15(20)18(17)21/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3
InChIKeyAGKJFEQQTRRQDE-UHFFFAOYSA-N
XLogP3.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821
[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574820
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 125444012
3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 125174346
N-(2-methoxyphenyl)-2-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]acetamide
CID 91832346
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 126448080
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118215
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 86285447

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 70729454) is (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is COc1ccc(F)c(F)c1C(=O)N1CCCCC1CCn1ccnc1C.
What is the InChIKey of (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is AGKJFEQQTRRQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-13-22-9-12-23(13)11-8-14-5-3-4-10-24(14)19(25)17-16(26-2)7-6-15(20)18(17)21/h6-7,9,12,14H,3-5,8,10-11H2,1-2H3.
What are the key properties of (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70729454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).