1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide

C24H30N2O4 — CID 139362391

IUPAC1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(COc2ccc3c(c2)O[C@H](CNC(=O)C2CCN(C)CC2)CO3)cc1
InChIInChI=1S/C24H30N2O4/c1-17-3-5-18(6-4-17)15-28-20-7-8-22-23(13-20)30-21(16-29-22)14-25-24(27)19-9-11-26(2)12-10-19/h3-8,13,19,21H,9-12,14-16H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyBIIFCEVEJUYPHR-OAQYLSRUSA-N
MW410.51 g/mol
LogP3.17
Rot. Bonds6

About 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide

1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 139362391) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
PubChem CID139362391
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(COc2ccc3c(c2)O[C@H](CNC(=O)C2CCN(C)CC2)CO3)cc1
InChIInChI=1S/C24H30N2O4/c1-17-3-5-18(6-4-17)15-28-20-7-8-22-23(13-20)30-21(16-29-22)14-25-24(27)19-9-11-26(2)12-10-19/h3-8,13,19,21H,9-12,14-16H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyBIIFCEVEJUYPHR-OAQYLSRUSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide (CID 139362391) is 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide is Cc1ccc(COc2ccc3c(c2)O[C@H](CNC(=O)C2CCN(C)CC2)CO3)cc1.
What is the InChIKey of 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is BIIFCEVEJUYPHR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17-3-5-18(6-4-17)15-28-20-7-8-22-23(13-20)30-21(16-29-22)14-25-24(27)19-9-11-26(2)12-10-19/h3-8,13,19,21H,9-12,14-16H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide?
1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 139362391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).