N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide

C12H21F3N2O2 — CID 114908709

IUPACN-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCOCC(C)N(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H21F3N2O2/c1-8(7-19-3)17(2)11(18)10-5-4-9(6-16-10)12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyPMFARCDGBBRFTB-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.41
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide

N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908709) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908709
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCOCC(C)N(C)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H21F3N2O2/c1-8(7-19-3)17(2)11(18)10-5-4-9(6-16-10)12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyPMFARCDGBBRFTB-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908749
N-methyl-N-propyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908623
N-cyclopentyl-N-ethyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908640
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908699
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908871
N-(1-methoxypropan-2-yl)-N,4,6-trimethylpiperidine-2-carboxamide
CID 114269603
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908717

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908709) is N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide is COCC(C)N(C)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is PMFARCDGBBRFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(7-19-3)17(2)11(18)10-5-4-9(6-16-10)12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).