5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide

C13H21N3O2 — CID 115741001

IUPAC5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1CN(C)CCC1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C13H21N3O2/c1-9-8-16(2)6-5-11(9)15-13(17)12-4-3-10(7-14)18-12/h3-4,9,11H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyDHTRUQKOZZKKIC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.81
Rot. Bonds3

About 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide

5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 115741001) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
PubChem CID115741001
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1CN(C)CCC1NC(=O)c1ccc(CN)o1
InChIInChI=1S/C13H21N3O2/c1-9-8-16(2)6-5-11(9)15-13(17)12-4-3-10(7-14)18-12/h3-4,9,11H,5-8,14H2,1-2H3,(H,15,17)
InChIKeyDHTRUQKOZZKKIC-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 107222112
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
CID 114502840
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
CID 103812746
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
CID 114505976
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 114505987

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide (CID 115741001) is 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide is CC1CN(C)CCC1NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is DHTRUQKOZZKKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-8-16(2)6-5-11(9)15-13(17)12-4-3-10(7-14)18-12/h3-4,9,11H,5-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide?
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 115741001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).