2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile

C15H24N2O3 — CID 18990818

IUPAC2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile
SMILESCC1(C)OC(CC#N)CC(CC(=O)N2CCCCC2)O1
InChIInChI=1S/C15H24N2O3/c1-15(2)19-12(6-7-16)10-13(20-15)11-14(18)17-8-4-3-5-9-17/h12-13H,3-6,8-11H2,1-2H3
InChIKeyNRSMBSVYPDJTLY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds3

About 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile

2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile (PubChem CID 18990818) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile
PubChem CID18990818
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile
SMILESCC1(C)OC(CC#N)CC(CC(=O)N2CCCCC2)O1
InChIInChI=1S/C15H24N2O3/c1-15(2)19-12(6-7-16)10-13(20-15)11-14(18)17-8-4-3-5-9-17/h12-13H,3-6,8-11H2,1-2H3
InChIKeyNRSMBSVYPDJTLY-UHFFFAOYSA-N
XLogP2.21
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile?
The IUPAC name of 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile (CID 18990818) is 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile.
What is the SMILES notation for 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile?
The canonical SMILES for 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile is CC1(C)OC(CC#N)CC(CC(=O)N2CCCCC2)O1.
What is the InChIKey of 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile?
The InChIKey is NRSMBSVYPDJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2)19-12(6-7-16)10-13(20-15)11-14(18)17-8-4-3-5-9-17/h12-13H,3-6,8-11H2,1-2H3.
What are the key properties of 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile?
2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile has a molecular weight of 280.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-dioxan-4-yl]acetonitrile is sourced from PubChem (CID 18990818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).