3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide

C15H26F3N3O — CID 86801177

IUPAC3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
SMILESCN(C)CC1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H26F3N3O/c1-20(2)9-11-7-8-21(10-11)14(22)19-13-5-3-12(4-6-13)15(16,17)18/h11-13H,3-10H2,1-2H3,(H,19,22)
InChIKeyWLSFSJIDSBYQAB-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.70
Rot. Bonds3

About 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide

3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 86801177) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID86801177
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
SMILESCN(C)CC1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H26F3N3O/c1-20(2)9-11-7-8-21(10-11)14(22)19-13-5-3-12(4-6-13)15(16,17)18/h11-13H,3-10H2,1-2H3,(H,19,22)
InChIKeyWLSFSJIDSBYQAB-UHFFFAOYSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide (CID 86801177) is 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide is CN(C)CC1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is WLSFSJIDSBYQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-20(2)9-11-7-8-21(10-11)14(22)19-13-5-3-12(4-6-13)15(16,17)18/h11-13H,3-10H2,1-2H3,(H,19,22).
What are the key properties of 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86801177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).