N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide

C21H22F2N2O4 — CID 1005497

IUPACN-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1OC
InChIInChI=1S/C21H22F2N2O4/c1-28-17-7-6-14(12-18(17)29-2)21(27)25-10-8-13(9-11-25)20(26)24-19-15(22)4-3-5-16(19)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,26)
InChIKeyWMBGEXKYTMUEJW-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.47
Rot. Bonds5

About N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide

N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 1005497) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID1005497
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC NameN-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1OC
InChIInChI=1S/C21H22F2N2O4/c1-28-17-7-6-14(12-18(17)29-2)21(27)25-10-8-13(9-11-25)20(26)24-19-15(22)4-3-5-16(19)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,26)
InChIKeyWMBGEXKYTMUEJW-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110394232
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
(3,4-dimethoxyphenyl)-[4-(3-fluoro-2-nitroanilino)piperidin-1-yl]methanone
CID 133307998
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid
CID 17494724
1-(4-cyclopentyloxy-3-methoxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808317

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide (CID 1005497) is N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1OC.
What is the InChIKey of N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is WMBGEXKYTMUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-28-17-7-6-14(12-18(17)29-2)21(27)25-10-8-13(9-11-25)20(26)24-19-15(22)4-3-5-16(19)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,26).
What are the key properties of N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1005497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).