2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C16H27F3N4O2 — CID 119044269

IUPAC2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1
InChIInChI=1S/C16H27F3N4O2/c1-15(2)12(16(17,18)19)6-9-23(15)14(25)21-11-4-7-22(8-5-11)10-13(24)20-3/h11-12H,4-10H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDIQALNZFBXPRON-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.57
Rot. Bonds3

About 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119044269) has the molecular formula C16H27F3N4O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119044269
Molecular FormulaC16H27F3N4O2
Molecular Weight364.41 g/mol
Exact Mass364.21
IUPAC Name2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1
InChIInChI=1S/C16H27F3N4O2/c1-15(2)12(16(17,18)19)6-9-23(15)14(25)21-11-4-7-22(8-5-11)10-13(24)20-3/h11-12H,4-10H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDIQALNZFBXPRON-UHFFFAOYSA-N
XLogP1.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-propylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044392
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044260
N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044254
(3R)-2,2-dimethyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124739551
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 75894562
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
(2R,6R)-2,6-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 95287047
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
N-[(1-ethylcyclopropyl)methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044403
(4S)-3,3-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99826231
2-[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 124726575

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119044269) is 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CNC(=O)CN1CCC(NC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is DIQALNZFBXPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4O2/c1-15(2)12(16(17,18)19)6-9-23(15)14(25)21-11-4-7-22(8-5-11)10-13(24)20-3/h11-12H,4-10H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119044269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).