N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C17H19ClFN5O — CID 163339704

IUPACN-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C17H19ClFN5O/c18-13-9-12(3-4-14(13)19)20-17(25)24-7-5-11(6-8-24)16-21-15(22-23-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,25)(H,21,22,23)
InChIKeyLXLOEPSZZUHFKM-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.89
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 163339704) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID163339704
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C17H19ClFN5O/c18-13-9-12(3-4-14(13)19)20-17(25)24-7-5-11(6-8-24)16-21-15(22-23-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,25)(H,21,22,23)
InChIKeyLXLOEPSZZUHFKM-UHFFFAOYSA-N
XLogP3.89
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide 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-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 163339704) is N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LXLOEPSZZUHFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c18-13-9-12(3-4-14(13)19)20-17(25)24-7-5-11(6-8-24)16-21-15(22-23-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,25)(H,21,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 163339704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).