5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile

C13H19N3O — CID 115652643

IUPAC5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
SMILESCCN1CCCC(NCc2ccc(C#N)o2)C1
InChIInChI=1S/C13H19N3O/c1-2-16-7-3-4-11(10-16)15-9-13-6-5-12(8-14)17-13/h5-6,11,15H,2-4,7,9-10H2,1H3
InChIKeyPZMLJWQQRLEPKN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.73
Rot. Bonds4

About 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile

5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115652643) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115652643
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
SMILESCCN1CCCC(NCc2ccc(C#N)o2)C1
InChIInChI=1S/C13H19N3O/c1-2-16-7-3-4-11(10-16)15-9-13-6-5-12(8-14)17-13/h5-6,11,15H,2-4,7,9-10H2,1H3
InChIKeyPZMLJWQQRLEPKN-UHFFFAOYSA-N
XLogP1.73
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine
CID 62083631
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
4-amino-3-[(1-ethylpiperidin-3-yl)amino]benzonitrile
CID 104711681
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile (CID 115652643) is 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile is CCN1CCCC(NCc2ccc(C#N)o2)C1.
What is the InChIKey of 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is PZMLJWQQRLEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16-7-3-4-11(10-16)15-9-13-6-5-12(8-14)17-13/h5-6,11,15H,2-4,7,9-10H2,1H3.
What are the key properties of 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile?
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115652643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).