3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile

C9H14N2O2 — CID 129365058

IUPAC3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC[C@@H](CO)C1
InChIInChI=1S/C9H14N2O2/c10-4-3-9(13)11-5-1-2-8(6-11)7-12/h8,12H,1-3,5-7H2/t8-/m1/s1
InChIKeyUHYKDWSRRPUBEE-MRVPVSSYSA-N
MW182.22 g/mol
LogP0.13
Rot. Bonds2

About 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile

3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 129365058) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
PubChem CID129365058
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)N1CCC[C@@H](CO)C1
InChIInChI=1S/C9H14N2O2/c10-4-3-9(13)11-5-1-2-8(6-11)7-12/h8,12H,1-3,5-7H2/t8-/m1/s1
InChIKeyUHYKDWSRRPUBEE-MRVPVSSYSA-N
XLogP0.13
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile (CID 129365058) is 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile is N#CCC(=O)N1CCC[C@@H](CO)C1.
What is the InChIKey of 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile?
The InChIKey is UHYKDWSRRPUBEE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-4-3-9(13)11-5-1-2-8(6-11)7-12/h8,12H,1-3,5-7H2/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile?
3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 182.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 129365058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).