N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide

C19H25F2N5O — CID 71930629

IUPACN-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C19H25F2N5O/c1-12(2)26-11-22-24-18(26)14-5-4-8-25(10-14)13(3)19(27)23-17-9-15(20)6-7-16(17)21/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,23,27)
InChIKeyOXCNAFAVQMIHPI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.34
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide

N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 71930629) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
PubChem CID71930629
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C19H25F2N5O/c1-12(2)26-11-22-24-18(26)14-5-4-8-25(10-14)13(3)19(27)23-17-9-15(20)6-7-16(17)21/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,23,27)
InChIKeyOXCNAFAVQMIHPI-UHFFFAOYSA-N
XLogP3.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide 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 N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide (CID 71930629) is N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1cc(F)ccc1F)N1CCCC(c2nncn2C(C)C)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is OXCNAFAVQMIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O/c1-12(2)26-11-22-24-18(26)14-5-4-8-25(10-14)13(3)19(27)23-17-9-15(20)6-7-16(17)21/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H,23,27).
What are the key properties of N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 71930629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).