4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide

C20H18F2N2O4 — CID 71895897

IUPAC4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C20H18F2N2O4/c21-20(22)27-16-7-6-15(12-17(16)28-20)23-19(26)24-10-8-14(9-11-24)18(25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,23,26)
InChIKeyFXPIGDLNEHIIQG-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.13
Rot. Bonds3

About 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide

4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide (PubChem CID 71895897) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide
PubChem CID71895897
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C20H18F2N2O4/c21-20(22)27-16-7-6-15(12-17(16)28-20)23-19(26)24-10-8-14(9-11-24)18(25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,23,26)
InChIKeyFXPIGDLNEHIIQG-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-hydroxypiperidine-1-carboxamide
CID 75461125
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(thian-4-yl)piperazine-1-carboxamide
CID 118785955
4-benzoyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134049478
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-propanoyl-1,4-diazepane-1-carboxamide
CID 166188024
1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904442
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] benzoate
CID 7868398
(2S)-2-(4-benzoylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 26038452
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680
4-(2-methoxyphenyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperidine-1-carboxamide
CID 3261302
1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 78840764
N-[4-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]anilino]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 59848950

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide (CID 71895897) is 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide is O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide?
The InChIKey is FXPIGDLNEHIIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-20(22)27-16-7-6-15(12-17(16)28-20)23-19(26)24-10-8-14(9-11-24)18(25)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H,23,26).
What are the key properties of 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide?
4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71895897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).