N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H23F3N2O2 — CID 114908863

IUPACN-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-10-4-6-21-7-5-10)13(20)12-3-2-11(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyJAEOHZIJDWJVMP-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.80
Rot. Bonds3

About N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908863) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908863
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-10-4-6-21-7-5-10)13(20)12-3-2-11(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyJAEOHZIJDWJVMP-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-1-[4-(oxan-4-yl)piperidin-1-yl]butan-1-one
CID 91660181
1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone
CID 97349583
(2S)-2-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 98773286
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
1-ethyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide
CID 136581483
N-[1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 123642655
N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 134269842
methyl 1-[4-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-4-oxobutyl]-2-(trifluoromethyl)piperidine-4-carboxylate
CID 146429203
[(2S)-4,4-difluoropiperidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 149534246
2-[3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372110
2-[(4R)-3,3-difluoro-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372111
2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 170372114

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908863) is N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CN(CC1CCOCC1)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is JAEOHZIJDWJVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-19(9-10-4-6-21-7-5-10)13(20)12-3-2-11(8-18-12)14(15,16)17/h10-12,18H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).