4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile

C15H23FN4O3 — CID 10336493

IUPAC4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCC1(NCC(=O)N2CC(F)CC2C#N)CCN(C(=O)CO)CC1
InChIInChI=1S/C15H23FN4O3/c1-15(2-4-19(5-3-15)14(23)10-21)18-8-13(22)20-9-11(16)6-12(20)7-17/h11-12,18,21H,2-6,8-10H2,1H3
InChIKeyIJWNYNHFROBWSS-UHFFFAOYSA-N
MW326.37 g/mol
LogP-0.59
Rot. Bonds4

About 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile

4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile (PubChem CID 10336493) has the molecular formula C15H23FN4O3 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile
PubChem CID10336493
Molecular FormulaC15H23FN4O3
Molecular Weight326.37 g/mol
Exact Mass326.18
IUPAC Name4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile
SMILESCC1(NCC(=O)N2CC(F)CC2C#N)CCN(C(=O)CO)CC1
InChIInChI=1S/C15H23FN4O3/c1-15(2-4-19(5-3-15)14(23)10-21)18-8-13(22)20-9-11(16)6-12(20)7-17/h11-12,18,21H,2-6,8-10H2,1H3
InChIKeyIJWNYNHFROBWSS-UHFFFAOYSA-N
XLogP-0.59
TPSA96.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile 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 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile (CID 10336493) is 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile is CC1(NCC(=O)N2CC(F)CC2C#N)CCN(C(=O)CO)CC1.
What is the InChIKey of 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is IJWNYNHFROBWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O3/c1-15(2-4-19(5-3-15)14(23)10-21)18-8-13(22)20-9-11(16)6-12(20)7-17/h11-12,18,21H,2-6,8-10H2,1H3.
What are the key properties of 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile?
4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 326.37 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-[[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 10336493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).