[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C19H23F2N3O2 — CID 96574820

IUPAC[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H23F2N3O2/c1-14-22-9-12-23(14)11-8-16-6-2-3-10-24(16)18(25)15-5-4-7-17(13-15)26-19(20)21/h4-5,7,9,12-13,16,19H,2-3,6,8,10-11H2,1H3/t16-/m0/s1
InChIKeyFLQAOCLIPGWOOS-INIZCTEOSA-N
MW363.41 g/mol
LogP3.88
Rot. Bonds6

About [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 96574820) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID96574820
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H23F2N3O2/c1-14-22-9-12-23(14)11-8-16-6-2-3-10-24(16)18(25)15-5-4-7-17(13-15)26-19(20)21/h4-5,7,9,12-13,16,19H,2-3,6,8,10-11H2,1H3/t16-/m0/s1
InChIKeyFLQAOCLIPGWOOS-INIZCTEOSA-N
XLogP3.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.88
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
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
[2-(bromomethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 80658459
[2-(bromomethyl)azepan-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 116639325
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
(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]-(1-methylindol-3-yl)methanone
CID 96573836
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 96574820) is [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is FLQAOCLIPGWOOS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-14-22-9-12-23(14)11-8-16-6-2-3-10-24(16)18(25)15-5-4-7-17(13-15)26-19(20)21/h4-5,7,9,12-13,16,19H,2-3,6,8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 96574820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).