(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide

C9H16F2N2O — CID 103809890

IUPAC(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
SMILESCN(CC(F)F)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C9H16F2N2O/c1-13(6-8(10)11)9(14)7-4-2-3-5-12-7/h7-8,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyIETSTHQLWKWXHL-SSDOTTSWSA-N
MW206.24 g/mol
LogP0.85
Rot. Bonds3

About (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide

(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide (PubChem CID 103809890) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
PubChem CID103809890
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
SMILESCN(CC(F)F)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C9H16F2N2O/c1-13(6-8(10)11)9(14)7-4-2-3-5-12-7/h7-8,12H,2-6H2,1H3/t7-/m1/s1
InChIKeyIETSTHQLWKWXHL-SSDOTTSWSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanopropyl)-N-methylazepane-2-carboxamide
CID 64563051
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 107479497
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
(2S)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119818675
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812
N-(2,2-dimethylpropyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119299416
(2R)-N-methyl-N-(2-methylprop-2-enyl)piperidine-2-carboxamide
CID 104914782
N-[2-(diethylamino)ethyl]-N-methylpiperidine-2-carboxamide
CID 119054103
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 54872870
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide (CID 103809890) is (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide is CN(CC(F)F)C(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is IETSTHQLWKWXHL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-13(6-8(10)11)9(14)7-4-2-3-5-12-7/h7-8,12H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide?
(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103809890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).