4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile

C20H20N4O2 — CID 124624596

IUPAC4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
SMILESN#CCCN(Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H20N4O2/c21-10-3-11-23(15-18-4-2-13-26-18)19-5-1-12-24(20(19)25)17-8-6-16(14-22)7-9-17/h2,4,6-9,13,19H,1,3,5,11-12,15H2/t19-/m1/s1
InChIKeyJSVLAVIRWQUGTC-LJQANCHMSA-N
MW348.41 g/mol
LogP3.06
Rot. Bonds6

About 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile

4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile (PubChem CID 124624596) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
PubChem CID124624596
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
SMILESN#CCCN(Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O
InChIInChI=1S/C20H20N4O2/c21-10-3-11-23(15-18-4-2-13-26-18)19-5-1-12-24(20(19)25)17-8-6-16(14-22)7-9-17/h2,4,6-9,13,19H,1,3,5,11-12,15H2/t19-/m1/s1
InChIKeyJSVLAVIRWQUGTC-LJQANCHMSA-N
XLogP3.06
TPSA84.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[methyl(1,3-thiazol-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile
CID 75499312
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51103022
4-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]benzonitrile
CID 42919726
2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
CID 112684205
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23942870
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-3-methoxybenzamide
CID 23888445
3-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]benzonitrile
CID 86911028
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823217
N-(2-cyanoethyl)-2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 39973526
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
3-[[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]carbamoyl-methylamino]propanoic acid
CID 122009523
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
The IUPAC name of 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile (CID 124624596) is 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile is N#CCCN(Cc1ccco1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O.
What is the InChIKey of 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
The InChIKey is JSVLAVIRWQUGTC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-10-3-11-23(15-18-4-2-13-26-18)19-5-1-12-24(20(19)25)17-8-6-16(14-22)7-9-17/h2,4,6-9,13,19H,1,3,5,11-12,15H2/t19-/m1/s1.
What are the key properties of 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile?
4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile has a molecular weight of 348.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxopiperidin-1-yl]benzonitrile is sourced from PubChem (CID 124624596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).