N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide

C13H22F3N3O2 — CID 119737426

IUPACN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H22F3N3O2/c1-9(10-2-4-17-5-3-10)6-11(20)18-7-12(21)19-8-13(14,15)16/h9-10,17H,2-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyGGIMBHLIVUCQCP-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.81
Rot. Bonds6

About N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119737426) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119737426
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H22F3N3O2/c1-9(10-2-4-17-5-3-10)6-11(20)18-7-12(21)19-8-13(14,15)16/h9-10,17H,2-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyGGIMBHLIVUCQCP-UHFFFAOYSA-N
XLogP0.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide 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

3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide (CID 119737426) is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(=O)NCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is GGIMBHLIVUCQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-9(10-2-4-17-5-3-10)6-11(20)18-7-12(21)19-8-13(14,15)16/h9-10,17H,2-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 309.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119737426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).