2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

C21H26FN3O2 — CID 72856878

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCC(OCc2cccnc2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H26FN3O2/c1-24(2)20(17-6-3-7-18(22)13-17)21(26)25-11-8-19(9-12-25)27-15-16-5-4-10-23-14-16/h3-7,10,13-14,19-20H,8-9,11-12,15H2,1-2H3
InChIKeyAVYSYCLLSKAQKV-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.03
Rot. Bonds6

About 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 72856878) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID72856878
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESCN(C)C(C(=O)N1CCC(OCc2cccnc2)CC1)c1cccc(F)c1
InChIInChI=1S/C21H26FN3O2/c1-24(2)20(17-6-3-7-18(22)13-17)21(26)25-11-8-19(9-12-25)27-15-16-5-4-10-23-14-16/h3-7,10,13-14,19-20H,8-9,11-12,15H2,1-2H3
InChIKeyAVYSYCLLSKAQKV-UHFFFAOYSA-N
XLogP3.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 10345845
2-(3,4-difluorophenyl)-N-ethyl-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-2-pyrazol-1-ylacetamide
CID 44574008
2-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
CID 162379815
1-(4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-2-phenyl-ethanone
CID 1446476
2-(5-fluoro-2-pyridinyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
CID 162379805
Methyl 6-{[[1-(2-fluorobenzyl)-3-piperidinyl](methyl)amino]carbonyl}nicotinate
CID 23723812
6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-2-one
CID 45162409
[4-[2-[(3-Fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 53037947
[4-[2-[(2-Fluorophenyl)methoxy]ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 53037953
2-(4-{2-[(3-Fluorophenyl)methoxy]ethyl}piperidine-1-carbonyl)pyridine
CID 53150648
2-(3-Fluorophenyl)-1-{4-[2-(4-pyridyloxy)ethyl]piperidino}-1-ethanone
CID 53150941
2-(2-Fluorophenyl)-1-{4-[2-(pyridin-4-yloxy)ethyl]piperidin-1-YL}ethan-1-one
CID 53150944

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (CID 72856878) is 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is CN(C)C(C(=O)N1CCC(OCc2cccnc2)CC1)c1cccc(F)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is AVYSYCLLSKAQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-24(2)20(17-6-3-7-18(22)13-17)21(26)25-11-8-19(9-12-25)27-15-16-5-4-10-23-14-16/h3-7,10,13-14,19-20H,8-9,11-12,15H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 371.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 72856878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).