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

C22H32N2O2 — CID 45186856

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide
SMILESC=CCC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H32N2O2/c1-3-7-22(25)24(12-13-26-2)17-18-8-6-11-23(16-18)21-14-19-9-4-5-10-20(19)15-21/h3-5,9-10,18,21H,1,6-8,11-17H2,2H3
InChIKeyVDRLUXCZQHHVAH-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.92
Rot. Bonds8

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide (PubChem CID 45186856) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide
PubChem CID45186856
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide
SMILESC=CCC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C22H32N2O2/c1-3-7-22(25)24(12-13-26-2)17-18-8-6-11-23(16-18)21-14-19-9-4-5-10-20(19)15-21/h3-5,9-10,18,21H,1,6-8,11-17H2,2H3
InChIKeyVDRLUXCZQHHVAH-UHFFFAOYSA-N
XLogP2.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-2-(methylthio)acetamide
CID 23723629
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
CID 23723655
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-4-oxopentanamide
CID 23723443
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-3-(methylthio)propanamide
CID 23723765
ethyl N-{[{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amino]carbonyl}glycinate
CID 23723579
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate
CID 162667985
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl N-ethyl-N-methylcarbamate
CID 162672032
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl N-ethyl-N-methylcarbamate
CID 162677453
Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872

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)but-3-enamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide (CID 45186856) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide is C=CCC(=O)N(CCOC)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide?
The InChIKey is VDRLUXCZQHHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-7-22(25)24(12-13-26-2)17-18-8-6-11-23(16-18)21-14-19-9-4-5-10-20(19)15-21/h3-5,9-10,18,21H,1,6-8,11-17H2,2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)but-3-enamide has a molecular weight of 356.51 g/mol, XLogP of 2.92, 8 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)but-3-enamide is sourced from PubChem (CID 45186856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).