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

C22H31F3N2O2 — CID 23723655

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F
InChIInChI=1S/C22H31F3N2O2/c1-29-12-11-27(21(28)8-9-22(23,24)25)16-17-5-4-10-26(15-17)20-13-18-6-2-3-7-19(18)14-20/h2-3,6-7,17,20H,4-5,8-16H2,1H3
InChIKeyWWAWBPBEZVBSGY-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.68
Rot. Bonds8

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide (PubChem CID 23723655) has the molecular formula C22H31F3N2O2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
PubChem CID23723655
Molecular FormulaC22H31F3N2O2
Molecular Weight412.50 g/mol
Exact Mass412.23
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F
InChIInChI=1S/C22H31F3N2O2/c1-29-12-11-27(21(28)8-9-22(23,24)25)16-17-5-4-10-26(15-17)20-13-18-6-2-3-7-19(18)14-20/h2-3,6-7,17,20H,4-5,8-16H2,1H3
InChIKeyWWAWBPBEZVBSGY-UHFFFAOYSA-N
XLogP3.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-2-(methylthio)acetamide
CID 23723629
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-4-oxopentanamide
CID 23723443
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-3-(methylthio)propanamide
CID 23723765
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]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
propyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 19761234

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide (CID 23723655) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
The InChIKey is WWAWBPBEZVBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O2/c1-29-12-11-27(21(28)8-9-22(23,24)25)16-17-5-4-10-26(15-17)20-13-18-6-2-3-7-19(18)14-20/h2-3,6-7,17,20H,4-5,8-16H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide has a molecular weight of 412.50 g/mol, XLogP of 3.68, 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]-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 23723655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).