1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide

C12H18F3N3O2 — CID 63708258

IUPAC1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)11(4-5-17-7-11)10(20)18-6-2-1-3-8(18)9(16)19/h8,17H,1-7H2,(H2,16,19)
InChIKeyQWUZCYXRALWMRS-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.39
Rot. Bonds2

About 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide

1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide (PubChem CID 63708258) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
PubChem CID63708258
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)11(4-5-17-7-11)10(20)18-6-2-1-3-8(18)9(16)19/h8,17H,1-7H2,(H2,16,19)
InChIKeyQWUZCYXRALWMRS-UHFFFAOYSA-N
XLogP0.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.39
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
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55177939
[2-(2-hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63710206
(2-methylpyrrolidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63709889
1-(3-propylpyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 63140050
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 107068770
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63720627
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
N-methyl-4-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxamide
CID 83099006
1-(2-amino-1-methylcyclopentanecarbonyl)piperidine-2-carboxamide
CID 82765624

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide?
The IUPAC name of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide (CID 63708258) is 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide?
The InChIKey is QWUZCYXRALWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)11(4-5-17-7-11)10(20)18-6-2-1-3-8(18)9(16)19/h8,17H,1-7H2,(H2,16,19).
What are the key properties of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide?
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 63708258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).