N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C12H18F3N5O — CID 43603378

IUPACN-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1cncn1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)7-20(10-1-4-16-5-2-10)11(21)3-6-19-9-17-8-18-19/h8-10,16H,1-7H2
InChIKeyLMSGEPGJOKJTQE-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.81
Rot. Bonds5

About N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 43603378) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID43603378
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCn1cncn1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)7-20(10-1-4-16-5-2-10)11(21)3-6-19-9-17-8-18-19/h8-10,16H,1-7H2
InChIKeyLMSGEPGJOKJTQE-UHFFFAOYSA-N
XLogP0.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)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-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 43603378) is N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCn1cncn1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LMSGEPGJOKJTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)7-20(10-1-4-16-5-2-10)11(21)3-6-19-9-17-8-18-19/h8-10,16H,1-7H2.
What are the key properties of N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 305.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 43603378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).