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

C22H34N2O2S — CID 23723765

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCSC
InChIInChI=1S/C22H34N2O2S/c1-26-12-11-24(22(25)9-13-27-2)17-18-6-5-10-23(16-18)21-14-19-7-3-4-8-20(19)15-21/h3-4,7-8,18,21H,5-6,9-17H2,1-2H3
InChIKeyFRSBLRCLNPRVTC-UHFFFAOYSA-N
MW390.59 g/mol
LogP3.09
Rot. Bonds9

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide (PubChem CID 23723765) has the molecular formula C22H34N2O2S and a molecular weight of 390.59 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide
PubChem CID23723765
Molecular FormulaC22H34N2O2S
Molecular Weight390.59 g/mol
Exact Mass390.23
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCSC
InChIInChI=1S/C22H34N2O2S/c1-26-12-11-24(22(25)9-13-27-2)17-18-6-5-10-23(16-18)21-14-19-7-3-4-8-20(19)15-21/h3-4,7-8,18,21H,5-6,9-17H2,1-2H3
InChIKeyFRSBLRCLNPRVTC-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)succinamide
CID 23723809
1-Indanamine, N-(2-morpholinopropionyl)-N-methyl-, hydrochloride
CID 110899
N-{[1-(2,3-Dihydro-1H-inden-2-YL)piperidin-3-YL]methyl}-2-methoxy-N-(2-methoxyethyl)acetamide
CID 72864772
N-{[1-(2,3-Dihydro-1H-inden-2-YL)piperidin-3-YL]methyl}-2-hydroxy-N-(2-methoxyethyl)acetamide
CID 72903729
1-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 155565264
(1S*,5R*)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(methylthio)acetyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70758751
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97273961
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-3-butenamide
CID 45186856
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-morpholin-4-ylpropanamide
CID 110900

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-methylsulfanylpropanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide (CID 23723765) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCSC.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is FRSBLRCLNPRVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S/c1-26-12-11-24(22(25)9-13-27-2)17-18-6-5-10-23(16-18)21-14-19-7-3-4-8-20(19)15-21/h3-4,7-8,18,21H,5-6,9-17H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 390.59 g/mol, XLogP of 3.09, 9 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]-N-(2-methoxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 23723765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).