N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide

C26H34N2O2 — CID 24790475

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cccc(C)c1
InChIInChI=1S/C26H34N2O2/c1-20-7-5-11-24(15-20)26(29)28(13-14-30-2)19-21-8-6-12-27(18-21)25-16-22-9-3-4-10-23(22)17-25/h3-5,7,9-11,15,21,25H,6,8,12-14,16-19H2,1-2H3
InChIKeyAYFOAZNGEKPFOR-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.96
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide (PubChem CID 24790475) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide
PubChem CID24790475
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cccc(C)c1
InChIInChI=1S/C26H34N2O2/c1-20-7-5-11-24(15-20)26(29)28(13-14-30-2)19-21-8-6-12-27(18-21)25-16-22-9-3-4-10-23(22)17-25/h3-5,7,9-11,15,21,25H,6,8,12-14,16-19H2,1-2H3
InChIKeyAYFOAZNGEKPFOR-UHFFFAOYSA-N
XLogP3.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide (CID 24790475) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is AYFOAZNGEKPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-20-7-5-11-24(15-20)26(29)28(13-14-30-2)19-21-8-6-12-27(18-21)25-16-22-9-3-4-10-23(22)17-25/h3-5,7,9-11,15,21,25H,6,8,12-14,16-19H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 406.57 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 24790475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).