3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C25H32N2O3 — CID 112826529

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)CCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C25H32N2O3/c1-19-5-4-12-27(17-19)18-22-7-3-2-6-21(22)16-26-25(28)11-9-20-8-10-23-24(15-20)30-14-13-29-23/h2-3,6-8,10,15,19H,4-5,9,11-14,16-18H2,1H3,(H,26,28)
InChIKeyYDGPOYKGZGPLFF-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.94
Rot. Bonds7

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 112826529) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID112826529
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)CCc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C25H32N2O3/c1-19-5-4-12-27(17-19)18-22-7-3-2-6-21(22)16-26-25(28)11-9-20-8-10-23-24(15-20)30-14-13-29-23/h2-3,6-8,10,15,19H,4-5,9,11-14,16-18H2,1H3,(H,26,28)
InChIKeyYDGPOYKGZGPLFF-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide with MolForge

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31949495
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826534
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 30304866
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 86945221
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86945147
tert-butyl N-[3-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]carbamate
CID 51948460
3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 75879898
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 112826529) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC1CCCN(Cc2ccccc2CNC(=O)CCc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is YDGPOYKGZGPLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-5-4-12-27(17-19)18-22-7-3-2-6-21(22)16-26-25(28)11-9-20-8-10-23-24(15-20)30-14-13-29-23/h2-3,6-8,10,15,19H,4-5,9,11-14,16-18H2,1H3,(H,26,28).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 408.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 112826529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).