(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile

C16H16N4O2 — CID 685825

IUPAC(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile
SMILESN#C[C@H](c1ccco1)N1CCN([C@H](C#N)c2ccco2)CC1
InChIInChI=1S/C16H16N4O2/c17-11-13(15-3-1-9-21-15)19-5-7-20(8-6-19)14(12-18)16-4-2-10-22-16/h1-4,9-10,13-14H,5-8H2/t13-,14-/m1/s1
InChIKeyJNSYISKLRGXQKH-ZIAGYGMSSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile

(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile (PubChem CID 685825) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile
PubChem CID685825
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile
SMILESN#C[C@H](c1ccco1)N1CCN([C@H](C#N)c2ccco2)CC1
InChIInChI=1S/C16H16N4O2/c17-11-13(15-3-1-9-21-15)19-5-7-20(8-6-19)14(12-18)16-4-2-10-22-16/h1-4,9-10,13-14H,5-8H2/t13-,14-/m1/s1
InChIKeyJNSYISKLRGXQKH-ZIAGYGMSSA-N
XLogP2.32
TPSA80.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile?
The IUPAC name of (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile (CID 685825) is (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile.
What is the SMILES notation for (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile?
The canonical SMILES for (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile is N#C[C@H](c1ccco1)N1CCN([C@H](C#N)c2ccco2)CC1.
What is the InChIKey of (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile?
The InChIKey is JNSYISKLRGXQKH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-11-13(15-3-1-9-21-15)19-5-7-20(8-6-19)14(12-18)16-4-2-10-22-16/h1-4,9-10,13-14H,5-8H2/t13-,14-/m1/s1.
What are the key properties of (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile?
(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile is sourced from PubChem (CID 685825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).