N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide

C23H24F2N2O4 — CID 33215602

IUPACN-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H24F2N2O4/c24-18-3-2-17(14-19(18)25)26-22(28)7-10-27-8-5-15(6-9-27)23(29)16-1-4-20-21(13-16)31-12-11-30-20/h1-4,13-15H,5-12H2,(H,26,28)
InChIKeyRYPGKRYZHYGAMI-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.66
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide

N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide (PubChem CID 33215602) has the molecular formula C23H24F2N2O4 and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide
PubChem CID33215602
Molecular FormulaC23H24F2N2O4
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H24F2N2O4/c24-18-3-2-17(14-19(18)25)26-22(28)7-10-27-8-5-15(6-9-27)23(29)16-1-4-20-21(13-16)31-12-11-30-20/h1-4,13-15H,5-12H2,(H,26,28)
InChIKeyRYPGKRYZHYGAMI-UHFFFAOYSA-N
XLogP3.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4-nitrophenyl)propanamide
CID 55521727
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 26044080
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 43065643
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60523709
N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
CID 43815899
[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 17444810
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525544

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide (CID 33215602) is N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide is O=C(CCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is RYPGKRYZHYGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O4/c24-18-3-2-17(14-19(18)25)26-22(28)7-10-27-8-5-15(6-9-27)23(29)16-1-4-20-21(13-16)31-12-11-30-20/h1-4,13-15H,5-12H2,(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide?
N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 430.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 33215602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).