1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide

C18H24F2N2O2 — CID 46942790

IUPAC1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C18H24F2N2O2/c1-4-9-21-17(24)18(3)8-5-10-22(11-18)16(23)14-13(19)7-6-12(2)15(14)20/h6-7H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyNYIVAKPZZLJKRF-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.04
Rot. Bonds4

About 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide

1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide (PubChem CID 46942790) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
PubChem CID46942790
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1
InChIInChI=1S/C18H24F2N2O2/c1-4-9-21-17(24)18(3)8-5-10-22(11-18)16(23)14-13(19)7-6-12(2)15(14)20/h6-7H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyNYIVAKPZZLJKRF-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N1,N3-Bis(2,2,6,6-tetramethylpiperidin-4-YL)isophthalamide
CID 6451919
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960
4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 10596575
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
N,N'-dibutylbenzene-1,3-dicarboxamide
CID 2164314
N-propyl-3-(trifluoromethyl)benzenecarboxamide
CID 2767296
1-(3-Methylbenzoyl)piperidine-4-carboxamide
CID 772233
N-(3-(dimethylamino)propyl)benzamide
CID 2332594
(3-Methylphenyl)(piperazin-1-yl)methanone
CID 2760448

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide (CID 46942790) is 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1.
What is the InChIKey of 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The InChIKey is NYIVAKPZZLJKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-4-9-21-17(24)18(3)8-5-10-22(11-18)16(23)14-13(19)7-6-12(2)15(14)20/h6-7H,4-5,8-11H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide?
1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylbenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 46942790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).