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

C17H31F3N4O — CID 119044260

IUPACN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCN(C)CCN1CCC(NC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1
InChIInChI=1S/C17H31F3N4O/c1-16(2)14(17(18,19)20)7-10-24(16)15(25)21-13-5-8-23(9-6-13)12-11-22(3)4/h13-14H,5-12H2,1-4H3,(H,21,25)
InChIKeyTULBOWGKUXOJAG-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.38
Rot. Bonds4

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

N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119044260) has the molecular formula C17H31F3N4O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119044260
Molecular FormulaC17H31F3N4O
Molecular Weight364.46 g/mol
Exact Mass364.24
IUPAC NameN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCN(C)CCN1CCC(NC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1
InChIInChI=1S/C17H31F3N4O/c1-16(2)14(17(18,19)20)7-10-24(16)15(25)21-13-5-8-23(9-6-13)12-11-22(3)4/h13-14H,5-12H2,1-4H3,(H,21,25)
InChIKeyTULBOWGKUXOJAG-UHFFFAOYSA-N
XLogP2.38
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
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
(3R)-2,2-dimethyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124739551
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044269
N-(1-ethylsulfonylpiperidin-4-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044254
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895987
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
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106139
tert-butyl N-[1-[2-(dimethylamino)ethyl]azepan-4-yl]carbamate;ethane
CID 143651489
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 117004168
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119044260) is N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CN(C)CCN1CCC(NC(=O)N2CCC(C(F)(F)F)C2(C)C)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is TULBOWGKUXOJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N4O/c1-16(2)14(17(18,19)20)7-10-24(16)15(25)21-13-5-8-23(9-6-13)12-11-22(3)4/h13-14H,5-12H2,1-4H3,(H,21,25).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119044260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).