3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C25H28N2O5 — CID 42195060

IUPAC3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C25H28N2O5/c1-17(28)20-4-2-3-5-21(20)25(30)27-12-10-18(11-13-27)6-9-24(29)26-19-7-8-22-23(16-19)32-15-14-31-22/h2-5,7-8,16,18H,6,9-15H2,1H3,(H,26,29)
InChIKeyCSOYVTFOXDUPBR-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.93
Rot. Bonds6

About 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 42195060) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID42195060
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C25H28N2O5/c1-17(28)20-4-2-3-5-21(20)25(30)27-12-10-18(11-13-27)6-9-24(29)26-19-7-8-22-23(16-19)32-15-14-31-22/h2-5,7-8,16,18H,6,9-15H2,1H3,(H,26,29)
InChIKeyCSOYVTFOXDUPBR-UHFFFAOYSA-N
XLogP3.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 25447624
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[2-(5-oxopyrrolidin-2-yl)acetyl]piperidin-4-yl]propanamide
CID 45238770
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 72857283
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
3-[1-(2-acetylbenzoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 70720941
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969590
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942842
3-[(3R)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283407

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 42195060) is 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(=O)c1ccccc1C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is CSOYVTFOXDUPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-17(28)20-4-2-3-5-21(20)25(30)27-12-10-18(11-13-27)6-9-24(29)26-19-7-8-22-23(16-19)32-15-14-31-22/h2-5,7-8,16,18H,6,9-15H2,1H3,(H,26,29).
What are the key properties of 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 436.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 42195060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).