1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide

C16H22FN3O3 — CID 110086680

IUPAC1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide
SMILESCC(=O)N1CCNCC1C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O3/c1-12(21)20-8-7-18-11-15(20)16(22)19(2)9-10-23-14-5-3-13(17)4-6-14/h3-6,15,18H,7-11H2,1-2H3
InChIKeyCZZMYVVUXUUTSZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.48
Rot. Bonds5

About 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide

1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide (PubChem CID 110086680) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide
PubChem CID110086680
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide
SMILESCC(=O)N1CCNCC1C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O3/c1-12(21)20-8-7-18-11-15(20)16(22)19(2)9-10-23-14-5-3-13(17)4-6-14/h3-6,15,18H,7-11H2,1-2H3
InChIKeyCZZMYVVUXUUTSZ-UHFFFAOYSA-N
XLogP0.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119695324
1-(cyclohexanecarbonyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 55731272
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
CID 99849846
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide (CID 110086680) is 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide is CC(=O)N1CCNCC1C(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is CZZMYVVUXUUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-12(21)20-8-7-18-11-15(20)16(22)19(2)9-10-23-14-5-3-13(17)4-6-14/h3-6,15,18H,7-11H2,1-2H3.
What are the key properties of 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide?
1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 110086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).