1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H22F3N3O2 — CID 71988708

IUPAC1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(C(=O)CN1CCCC(C(=O)NCC(F)(F)F)C1)C1CC1
InChIInChI=1S/C14H22F3N3O2/c1-19(11-4-5-11)12(21)8-20-6-2-3-10(7-20)13(22)18-9-14(15,16)17/h10-11H,2-9H2,1H3,(H,18,22)
InChIKeyIKMPWSWMQRTHLM-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988708) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988708
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCN(C(=O)CN1CCCC(C(=O)NCC(F)(F)F)C1)C1CC1
InChIInChI=1S/C14H22F3N3O2/c1-19(11-4-5-11)12(21)8-20-6-2-3-10(7-20)13(22)18-9-14(15,16)17/h10-11H,2-9H2,1H3,(H,18,22)
InChIKeyIKMPWSWMQRTHLM-UHFFFAOYSA-N
XLogP1.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-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 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988708) is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CN(C(=O)CN1CCCC(C(=O)NCC(F)(F)F)C1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is IKMPWSWMQRTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-19(11-4-5-11)12(21)8-20-6-2-3-10(7-20)13(22)18-9-14(15,16)17/h10-11H,2-9H2,1H3,(H,18,22).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).