2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide

C18H29F3N4O3 — CID 97342815

IUPAC2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H29F3N4O3/c1-17(2,3)16(28)22-11-14(26)24-9-7-23(8-10-24)13-5-4-6-25(15(13)27)12-18(19,20)21/h13H,4-12H2,1-3H3,(H,22,28)/t13-/m1/s1
InChIKeyFDKOMJRUMXYIRS-CYBMUJFWSA-N
MW406.45 g/mol
LogP0.85
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide (PubChem CID 97342815) has the molecular formula C18H29F3N4O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide
PubChem CID97342815
Molecular FormulaC18H29F3N4O3
Molecular Weight406.45 g/mol
Exact Mass406.22
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H29F3N4O3/c1-17(2,3)16(28)22-11-14(26)24-9-7-23(8-10-24)13-5-4-6-25(15(13)27)12-18(19,20)21/h13H,4-12H2,1-3H3,(H,22,28)/t13-/m1/s1
InChIKeyFDKOMJRUMXYIRS-CYBMUJFWSA-N
XLogP0.85
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]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 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide (CID 97342815) is 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide?
The InChIKey is FDKOMJRUMXYIRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H29F3N4O3/c1-17(2,3)16(28)22-11-14(26)24-9-7-23(8-10-24)13-5-4-6-25(15(13)27)12-18(19,20)21/h13H,4-12H2,1-3H3,(H,22,28)/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide has a molecular weight of 406.45 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 97342815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).