N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide

C23H34N2O3 — CID 23723443

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(C)=O
InChIInChI=1S/C23H34N2O3/c1-18(26)9-10-23(27)25(12-13-28-2)17-19-6-5-11-24(16-19)22-14-20-7-3-4-8-21(20)15-22/h3-4,7-8,19,22H,5-6,9-17H2,1-2H3
InChIKeyOJPPUOOZXSETBC-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.71
Rot. Bonds9

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide (PubChem CID 23723443) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide
PubChem CID23723443
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(C)=O
InChIInChI=1S/C23H34N2O3/c1-18(26)9-10-23(27)25(12-13-28-2)17-19-6-5-11-24(16-19)22-14-20-7-3-4-8-21(20)15-22/h3-4,7-8,19,22H,5-6,9-17H2,1-2H3
InChIKeyOJPPUOOZXSETBC-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.71
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)-3-(methylthio)propanamide
CID 23723765
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate
CID 162667985
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
N~2~-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N~2~-(2-methoxyethyl)glycinamide
CID 72908178
2-methylpropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 192296
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylpropanamide
CID 19761199
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28395379

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)-4-oxopentanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide (CID 23723443) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(C)=O.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide?
The InChIKey is OJPPUOOZXSETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-18(26)9-10-23(27)25(12-13-28-2)17-19-6-5-11-24(16-19)22-14-20-7-3-4-8-21(20)15-22/h3-4,7-8,19,22H,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)-4-oxopentanamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-oxopentanamide has a molecular weight of 386.54 g/mol, XLogP of 2.71, 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)-4-oxopentanamide is sourced from PubChem (CID 23723443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).