1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C20H27FN4O2 — CID 55827073

IUPAC1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1noc(C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C20H27FN4O2/c1-3-18-23-20(27-24-18)14(2)25-12-9-16(10-13-25)19(26)22-11-8-15-6-4-5-7-17(15)21/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,26)
InChIKeyQDYURYNRCAARQU-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.90
Rot. Bonds7

About 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55827073) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55827073
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1noc(C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C20H27FN4O2/c1-3-18-23-20(27-24-18)14(2)25-12-9-16(10-13-25)19(26)22-11-8-15-6-4-5-7-17(15)21/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,26)
InChIKeyQDYURYNRCAARQU-UHFFFAOYSA-N
XLogP2.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 16192431
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CID 44590946
CID 44590946
CID 45102670
CID 45102670
CID 45487888
CID 45487888
CID 45487894
CID 45487894
CID 45487930
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CID 648164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55827073) is 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is CCc1noc(C(C)N2CCC(C(=O)NCCc3ccccc3F)CC2)n1.
What is the InChIKey of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QDYURYNRCAARQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-3-18-23-20(27-24-18)14(2)25-12-9-16(10-13-25)19(26)22-11-8-15-6-4-5-7-17(15)21/h4-7,14,16H,3,8-13H2,1-2H3,(H,22,26).
What are the key properties of 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55827073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).