N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide

C14H24F3N3O2 — CID 71985645

IUPACN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-10(2)11-4-6-20(7-5-11)13(22)18-8-12(21)19(3)9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyWQMKXKUAWKEXNW-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.08
Rot. Bonds4

About N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide

N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71985645) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID71985645
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-10(2)11-4-6-20(7-5-11)13(22)18-8-12(21)19(3)9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyWQMKXKUAWKEXNW-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 71868030
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71869797
N-methyl-4-{1-[2-(methylamino)acetyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91921352
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 42948772
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45794305
N1-((1-(tert-butylcarbamoyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754747
3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 71862960
1-[2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 71986503
N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75364955
2-(4-(1,1-difluoroethyl)piperidin-1-yl)-N-methylacetamide
CID 92130809
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide
CID 99841184
N-[2-(2,2-dimethylpropanoylamino)ethyl]-3,4-dimethylpiperidine-1-carboxamide
CID 121558947

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide (CID 71985645) is N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WQMKXKUAWKEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-10(2)11-4-6-20(7-5-11)13(22)18-8-12(21)19(3)9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71985645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).