4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide

C11H20F3N3O — CID 165488012

IUPAC4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CN)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-2-5-16-9(18)17-6-3-10(8-15,4-7-17)11(12,13)14/h2-8,15H2,1H3,(H,16,18)
InChIKeyZQGXYDXJKGVNIA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.71
Rot. Bonds3

About 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide

4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 165488012) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID165488012
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CN)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-2-5-16-9(18)17-6-3-10(8-15,4-7-17)11(12,13)14/h2-8,15H2,1H3,(H,16,18)
InChIKeyZQGXYDXJKGVNIA-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
CID 115661017
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758683
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-propylmorpholine-4-carboxamide
CID 3410822
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
1-oxo-N-propyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578009
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
CID 112737624
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 165488012) is 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide is CCCNC(=O)N1CCC(CN)(C(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is ZQGXYDXJKGVNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-2-5-16-9(18)17-6-3-10(8-15,4-7-17)11(12,13)14/h2-8,15H2,1H3,(H,16,18).
What are the key properties of 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide?
4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 165488012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).