N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide

C13H20F3N3O2 — CID 103195243

IUPACN-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H20F3N3O2/c1-17-10(20)9-3-2-6-19(7-9)11(21)12(13(14,15)16)4-5-18-8-12/h9,18H,2-8H2,1H3,(H,17,20)
InChIKeyUNHLHPLRPVTZPD-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.51
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide

N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 103195243) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID103195243
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C13H20F3N3O2/c1-17-10(20)9-3-2-6-19(7-9)11(21)12(13(14,15)16)4-5-18-8-12/h9,18H,2-8H2,1H3,(H,17,20)
InChIKeyUNHLHPLRPVTZPD-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxamide
CID 63709885
N-methyl-1-(3-propylpyrrolidine-3-carbonyl)piperidine-3-carboxamide
CID 103195229
(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114678268
1-(1-aminocyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103811036
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 120932432
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
CID 83099006
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103195835
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide (CID 103195243) is N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is UNHLHPLRPVTZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-17-10(20)9-3-2-6-19(7-9)11(21)12(13(14,15)16)4-5-18-8-12/h9,18H,2-8H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 103195243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).