2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide

C19H23F2N3O — CID 169180232

IUPAC2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CC1)N1CCC(C#N)(c2cccc(F)c2F)CC1
InChIInChI=1S/C19H23F2N3O/c1-18(2,17(25)23-13-6-7-13)24-10-8-19(12-22,9-11-24)14-4-3-5-15(20)16(14)21/h3-5,13H,6-11H2,1-2H3,(H,23,25)
InChIKeyGFULRTXFVYNPID-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.88
Rot. Bonds4

About 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide

2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide (PubChem CID 169180232) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide
PubChem CID169180232
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CC1)N1CCC(C#N)(c2cccc(F)c2F)CC1
InChIInChI=1S/C19H23F2N3O/c1-18(2,17(25)23-13-6-7-13)24-10-8-19(12-22,9-11-24)14-4-3-5-15(20)16(14)21/h3-5,13H,6-11H2,1-2H3,(H,23,25)
InChIKeyGFULRTXFVYNPID-UHFFFAOYSA-N
XLogP2.88
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide 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 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide (CID 169180232) is 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide is CC(C)(C(=O)NC1CC1)N1CCC(C#N)(c2cccc(F)c2F)CC1.
What is the InChIKey of 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide?
The InChIKey is GFULRTXFVYNPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-18(2,17(25)23-13-6-7-13)24-10-8-19(12-22,9-11-24)14-4-3-5-15(20)16(14)21/h3-5,13H,6-11H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide?
2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide has a molecular weight of 347.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-(2,3-difluorophenyl)piperidin-1-yl]-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 169180232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).