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

C12H18F3N5O — CID 43603380

IUPACN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CCNCC1)n1cncn1
InChIInChI=1S/C12H18F3N5O/c1-9(20-8-17-7-18-20)11(21)19(6-12(13,14)15)10-2-4-16-5-3-10/h7-10,16H,2-6H2,1H3
InChIKeyMXDNUZVGCCVNGL-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.98
Rot. Bonds4

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

N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 43603380) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID43603380
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CCNCC1)n1cncn1
InChIInChI=1S/C12H18F3N5O/c1-9(20-8-17-7-18-20)11(21)19(6-12(13,14)15)10-2-4-16-5-3-10/h7-10,16H,2-6H2,1H3
InChIKeyMXDNUZVGCCVNGL-UHFFFAOYSA-N
XLogP0.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-piperidin-4-yl-2-(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

Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575294
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-[2-(azepan-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71897383
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 43603380) is N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CC(F)(F)F)C1CCNCC1)n1cncn1.
What is the InChIKey of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MXDNUZVGCCVNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-9(20-8-17-7-18-20)11(21)19(6-12(13,14)15)10-2-4-16-5-3-10/h7-10,16H,2-6H2,1H3.
What are the key properties of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 305.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 43603380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).