1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide

C18H24F2N2O3 — CID 46943979

IUPAC1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C18H24F2N2O3/c1-12-5-6-13(19)14(15(12)20)16(23)22-9-4-7-18(2,11-22)17(24)21-8-10-25-3/h5-6H,4,7-11H2,1-3H3,(H,21,24)
InChIKeySFXYTRJWOMZEML-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.28
Rot. Bonds5

About 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide

1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide (PubChem CID 46943979) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
PubChem CID46943979
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C18H24F2N2O3/c1-12-5-6-13(19)14(15(12)20)16(23)22-9-4-7-18(2,11-22)17(24)21-8-10-25-3/h5-6H,4,7-11H2,1-3H3,(H,21,24)
InChIKeySFXYTRJWOMZEML-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117054
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 46942789
N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
CID 46942683
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 46943736
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 46943082
8-(2,6-difluoro-3-methylbenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3320930
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide (CID 46943979) is 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide is COCCNC(=O)C1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1.
What is the InChIKey of 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is SFXYTRJWOMZEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-12-5-6-13(19)14(15(12)20)16(23)22-9-4-7-18(2,11-22)17(24)21-8-10-25-3/h5-6H,4,7-11H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide?
1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylbenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).