3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile

C16H27N3O2 — CID 97319188

IUPAC3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile
SMILESC[C@@H]1CCCCN1C(=O)CN(CCC#N)C1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-14-5-2-3-10-19(14)16(20)13-18(9-4-8-17)15-6-11-21-12-7-15/h14-15H,2-7,9-13H2,1H3/t14-/m1/s1
InChIKeySQDYHJUNTTZOIW-CQSZACIVSA-N
MW293.41 g/mol
LogP1.78
Rot. Bonds5

About 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile

3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile (PubChem CID 97319188) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile
PubChem CID97319188
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile
SMILESC[C@@H]1CCCCN1C(=O)CN(CCC#N)C1CCOCC1
InChIInChI=1S/C16H27N3O2/c1-14-5-2-3-10-19(14)16(20)13-18(9-4-8-17)15-6-11-21-12-7-15/h14-15H,2-7,9-13H2,1H3/t14-/m1/s1
InChIKeySQDYHJUNTTZOIW-CQSZACIVSA-N
XLogP1.78
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile?
The IUPAC name of 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile (CID 97319188) is 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile is C[C@@H]1CCCCN1C(=O)CN(CCC#N)C1CCOCC1.
What is the InChIKey of 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile?
The InChIKey is SQDYHJUNTTZOIW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14-5-2-3-10-19(14)16(20)13-18(9-4-8-17)15-6-11-21-12-7-15/h14-15H,2-7,9-13H2,1H3/t14-/m1/s1.
What are the key properties of 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile?
3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile has a molecular weight of 293.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile is sourced from PubChem (CID 97319188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).