1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide

C22H24F2N2O4 — CID 46586888

IUPAC1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1OC
InChIInChI=1S/C22H24F2N2O4/c1-29-19-5-3-4-15(20(19)30-2)13-25-21(27)14-8-10-26(11-9-14)22(28)17-7-6-16(23)12-18(17)24/h3-7,12,14H,8-11,13H2,1-2H3,(H,25,27)
InChIKeyLLIKKGADOFWBGJ-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.15
Rot. Bonds6

About 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46586888) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46586888
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1OC
InChIInChI=1S/C22H24F2N2O4/c1-29-19-5-3-4-15(20(19)30-2)13-25-21(27)14-8-10-26(11-9-14)22(28)17-7-6-16(23)12-18(17)24/h3-7,12,14H,8-11,13H2,1-2H3,(H,25,27)
InChIKeyLLIKKGADOFWBGJ-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056
1-(2,4-difluorobenzoyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46434484
N-[(2,3-dimethoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375269
1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 24595324
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 46586888) is 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1OC.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LLIKKGADOFWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-29-19-5-3-4-15(20(19)30-2)13-25-21(27)14-8-10-26(11-9-14)22(28)17-7-6-16(23)12-18(17)24/h3-7,12,14H,8-11,13H2,1-2H3,(H,25,27).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46586888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).