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

C20H30N2O3 — CID 72903729

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CO
InChIInChI=1S/C20H30N2O3/c1-25-10-9-22(20(24)15-23)14-16-5-4-8-21(13-16)19-11-17-6-2-3-7-18(17)12-19/h2-3,6-7,16,19,23H,4-5,8-15H2,1H3
InChIKeyOCRUYJDOOMCUMA-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.33
Rot. Bonds7

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide (PubChem CID 72903729) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide
PubChem CID72903729
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CO
InChIInChI=1S/C20H30N2O3/c1-25-10-9-22(20(24)15-23)14-16-5-4-8-21(13-16)19-11-17-6-2-3-7-18(17)12-19/h2-3,6-7,16,19,23H,4-5,8-15H2,1H3
InChIKeyOCRUYJDOOMCUMA-UHFFFAOYSA-N
XLogP1.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-hydroxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide (CID 72903729) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CO.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide?
The InChIKey is OCRUYJDOOMCUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-25-10-9-22(20(24)15-23)14-16-5-4-8-21(13-16)19-11-17-6-2-3-7-18(17)12-19/h2-3,6-7,16,19,23H,4-5,8-15H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-hydroxy-N-(2-methoxyethyl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 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-hydroxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 72903729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).