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

C21H32N2O3 — CID 72864772

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)COC
InChIInChI=1S/C21H32N2O3/c1-25-11-10-23(21(24)16-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-16H2,1-2H3
InChIKeyCVOZRTQUMBGPIJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.99
Rot. Bonds8

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide (PubChem CID 72864772) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
PubChem CID72864772
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)COC
InChIInChI=1S/C21H32N2O3/c1-25-11-10-23(21(24)16-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-16H2,1-2H3
InChIKeyCVOZRTQUMBGPIJ-UHFFFAOYSA-N
XLogP1.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-2-methoxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide (CID 72864772) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)COC.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide?
The InChIKey is CVOZRTQUMBGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-11-10-23(21(24)16-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-16H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide has a molecular weight of 360.50 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 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]-2-methoxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 72864772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).