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

C19H24F2N4O2 — CID 132972497

IUPAC4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1noc(CCNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C19H24F2N4O2/c1-13-23-18(27-24-13)6-9-22-19(26)25-10-7-14(8-11-25)2-3-15-4-5-16(20)12-17(15)21/h4-5,12,14H,2-3,6-11H2,1H3,(H,22,26)
InChIKeyWQNLTVQYJRDCPM-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.25
Rot. Bonds6

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

4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 132972497) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID132972497
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1noc(CCNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C19H24F2N4O2/c1-13-23-18(27-24-13)6-9-22-19(26)25-10-7-14(8-11-25)2-3-15-4-5-16(20)12-17(15)21/h4-5,12,14H,2-3,6-11H2,1H3,(H,22,26)
InChIKeyWQNLTVQYJRDCPM-UHFFFAOYSA-N
XLogP3.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 132969939
5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 154740147
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 154803243
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797425
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
5-[[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 95727440
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 138045968
N-[2-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 45235185

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide (CID 132972497) is 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide is Cc1noc(CCNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is WQNLTVQYJRDCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-13-23-18(27-24-13)6-9-22-19(26)25-10-7-14(8-11-25)2-3-15-4-5-16(20)12-17(15)21/h4-5,12,14H,2-3,6-11H2,1H3,(H,22,26).
What are the key properties of 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide?
4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 132972497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).