3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide

C14H22N2O2 — CID 115583196

IUPAC3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCCC(C)C2)o1
InChIInChI=1S/C14H22N2O2/c1-10-5-4-8-16(9-10)14(17)15-12(3)13-7-6-11(2)18-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyWTJHSABRKDXFOX-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.09
Rot. Bonds2

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

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide (PubChem CID 115583196) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
PubChem CID115583196
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)N2CCCC(C)C2)o1
InChIInChI=1S/C14H22N2O2/c1-10-5-4-8-16(9-10)14(17)15-12(3)13-7-6-11(2)18-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyWTJHSABRKDXFOX-UHFFFAOYSA-N
XLogP3.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 95134239
3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071464
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
CID 87000118
(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51957994
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
CID 86789543
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide (CID 115583196) is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide is Cc1ccc(C(C)NC(=O)N2CCCC(C)C2)o1.
What is the InChIKey of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is WTJHSABRKDXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-4-8-16(9-10)14(17)15-12(3)13-7-6-11(2)18-13/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide?
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 115583196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).