4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide

C16H28F3N3O — CID 71978851

IUPAC4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H28F3N3O/c1-13-3-10-22(11-4-13)15(23)20-7-2-14-5-8-21(9-6-14)12-16(17,18)19/h13-14H,2-12H2,1H3,(H,20,23)
InChIKeyMMHWZKRZOUTZNQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds4

About 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide

4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide (PubChem CID 71978851) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
PubChem CID71978851
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC Name4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H28F3N3O/c1-13-3-10-22(11-4-13)15(23)20-7-2-14-5-8-21(9-6-14)12-16(17,18)19/h13-14H,2-12H2,1H3,(H,20,23)
InChIKeyMMHWZKRZOUTZNQ-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 71862960
(2S)-2-amino-3,3-dimethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]butanamide;dihydrochloride
CID 119898422
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
N-[2-(1-ethylpiperidin-4-yl)ethyl]-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 128673982
4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 111752905
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 120638355
1-(1-hydroxybutan-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]urea
CID 111751253
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperazine-1-carboxamide
CID 99823226
N-(2-cyclopentylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 55808732
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide (CID 71978851) is 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide is CC1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is MMHWZKRZOUTZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O/c1-13-3-10-22(11-4-13)15(23)20-7-2-14-5-8-21(9-6-14)12-16(17,18)19/h13-14H,2-12H2,1H3,(H,20,23).
What are the key properties of 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide?
4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71978851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).