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

C25H32N2O3 — CID 112826534

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H32N2O3/c1-19-6-4-5-13-27(19)18-22-8-3-2-7-21(22)17-26-25(28)12-10-20-9-11-23-24(16-20)30-15-14-29-23/h2-3,7-9,11,16,19H,4-6,10,12-15,17-18H2,1H3,(H,26,28)
InChIKeyBERXHIOJZKMENY-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.08
Rot. Bonds7

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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 112826534) 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-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID112826534
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H32N2O3/c1-19-6-4-5-13-27(19)18-22-8-3-2-7-21(22)17-26-25(28)12-10-20-9-11-23-24(16-20)30-15-14-29-23/h2-3,7-9,11,16,19H,4-6,10,12-15,17-18H2,1H3,(H,26,28)
InChIKeyBERXHIOJZKMENY-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-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-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 138995970
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 86990869
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyphenyl)propanamide
CID 31136988
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 18132676
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 55736187

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 112826534) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC1CCCCN1Cc1ccccc1CNC(=O)CCc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is BERXHIOJZKMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-6-4-5-13-27(19)18-22-8-3-2-7-21(22)17-26-25(28)12-10-20-9-11-23-24(16-20)30-15-14-29-23/h2-3,7-9,11,16,19H,4-6,10,12-15,17-18H2,1H3,(H,26,28).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 408.54 g/mol, XLogP of 4.08, 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-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 112826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).