N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C14H26F3N3O — CID 114908525

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H26F3N3O/c1-13(2,9-20(3)4)8-19-12(21)11-6-5-10(7-18-11)14(15,16)17/h10-11,18H,5-9H2,1-4H3,(H,19,21)
InChIKeyTYDDYFKWACRRCF-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.62
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908525) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908525
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H26F3N3O/c1-13(2,9-20(3)4)8-19-12(21)11-6-5-10(7-18-11)14(15,16)17/h10-11,18H,5-9H2,1-4H3,(H,19,21)
InChIKeyTYDDYFKWACRRCF-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(2S)-1,1,1-trifluorohexan-2-yl]amino}pentanamide
CID 23648298
(S)-3-Isobutylpiperazin-2-one
CID 11693939
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 14877502
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
1-Methyl-3-(methylamino)-6-(trifluoromethyl)piperidin-2-one
CID 45100045
3-(2-Methylpropyl)piperazin-2-one
CID 13520366
Pipecolyl-leucyl-glycinamide
CID 128422
4-(2-Amino-4-methylpentanoyl)piperazin-2-one
CID 24692587
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(4,4,4-trifluorobutyl)-4-piperidinyl]propanamide
CID 45252513
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
Piperidin-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 54936761
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 56814163

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908525) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is TYDDYFKWACRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-13(2,9-20(3)4)8-19-12(21)11-6-5-10(7-18-11)14(15,16)17/h10-11,18H,5-9H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).