1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

C17H24FN3O3 — CID 56796659

IUPAC1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24FN3O3/c1-20(10-11-24-15-5-3-2-4-14(15)18)16(22)12-21-8-6-13(7-9-21)17(19)23/h2-5,13H,6-12H2,1H3,(H2,19,23)
InChIKeyUNXFUEPKPKEVPZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.86
Rot. Bonds7

About 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 56796659) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID56796659
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C17H24FN3O3/c1-20(10-11-24-15-5-3-2-4-14(15)18)16(22)12-21-8-6-13(7-9-21)17(19)23/h2-5,13H,6-12H2,1H3,(H2,19,23)
InChIKeyUNXFUEPKPKEVPZ-UHFFFAOYSA-N
XLogP0.86
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920388
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 120773429
2-(4-benzoyl-1,4-diazepan-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 78897950
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904523
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 56796659) is 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is CN(CCOc1ccccc1F)C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is UNXFUEPKPKEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-20(10-11-24-15-5-3-2-4-14(15)18)16(22)12-21-8-6-13(7-9-21)17(19)23/h2-5,13H,6-12H2,1H3,(H2,19,23).
What are the key properties of 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56796659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).