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

C12H20N4O2 — CID 103822021

IUPAC3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCc1noc(CCNC(=O)C2(C)CCCNC2)n1
InChIInChI=1S/C12H20N4O2/c1-9-15-10(18-16-9)4-7-14-11(17)12(2)5-3-6-13-8-12/h13H,3-8H2,1-2H3,(H,14,17)
InChIKeyPHBYHIPQSRGFQP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.43
Rot. Bonds4

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

3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 103822021) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID103822021
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESCc1noc(CCNC(=O)C2(C)CCCNC2)n1
InChIInChI=1S/C12H20N4O2/c1-9-15-10(18-16-9)4-7-14-11(17)12(2)5-3-6-13-8-12/h13H,3-8H2,1-2H3,(H,14,17)
InChIKeyPHBYHIPQSRGFQP-UHFFFAOYSA-N
XLogP0.43
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63143567
1-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119310003
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 63239889
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 146123022
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
2-[1-(aminomethyl)cyclohexyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 104844432
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946421
3-methyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131076
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide (CID 103822021) is 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide is Cc1noc(CCNC(=O)C2(C)CCCNC2)n1.
What is the InChIKey of 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PHBYHIPQSRGFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-15-10(18-16-9)4-7-14-11(17)12(2)5-3-6-13-8-12/h13H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide?
3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 103822021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).