5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide

C13H21N3O2 — CID 83021104

IUPAC5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C13H21N3O2/c1-9-4-3-5-10(2)16(9)15-13(17)12-7-6-11(8-14)18-12/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,17)
InChIKeyIMKJFFYUROGEEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds3

About 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide

5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide (PubChem CID 83021104) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
PubChem CID83021104
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C13H21N3O2/c1-9-4-3-5-10(2)16(9)15-13(17)12-7-6-11(8-14)18-12/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,17)
InChIKeyIMKJFFYUROGEEO-UHFFFAOYSA-N
XLogP1.65
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001
[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone
CID 126777161
5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide
CID 103308429
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl]furan-3-carboxylic acid
CID 114263532
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
CID 83025059
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide (CID 83021104) is 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide is CC1CCCC(C)N1NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
The InChIKey is IMKJFFYUROGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-3-5-10(2)16(9)15-13(17)12-7-6-11(8-14)18-12/h6-7,9-10H,3-5,8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide?
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide is sourced from PubChem (CID 83021104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).