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

C22H33N3O3 — CID 23723809

IUPACN'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(N)=O
InChIInChI=1S/C22H33N3O3/c1-28-12-11-25(22(27)9-8-21(23)26)16-17-5-4-10-24(15-17)20-13-18-6-2-3-7-19(18)14-20/h2-3,6-7,17,20H,4-5,8-16H2,1H3,(H2,23,26)
InChIKeyAPKHSLFWLXBJKB-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.61
Rot. Bonds9

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

N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide (PubChem CID 23723809) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide.

Molecular Properties

Compound NameN'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide
PubChem CID23723809
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(N)=O
InChIInChI=1S/C22H33N3O3/c1-28-12-11-25(22(27)9-8-21(23)26)16-17-5-4-10-24(15-17)20-13-18-6-2-3-7-19(18)14-20/h2-3,6-7,17,20H,4-5,8-16H2,1H3,(H2,23,26)
InChIKeyAPKHSLFWLXBJKB-UHFFFAOYSA-N
XLogP1.61
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide with MolForge

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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-(2,3-dihydro-1H-inden-2-yl)-2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]acetamide
CID 16191214
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
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
1-Indanamine, N-(2-morpholinopropionyl)-N-methyl-, hydrochloride
CID 110899
4-(Morpholin-4-yl)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanimidic acid
CID 115639
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-N'-propylurea
CID 23723799
3-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45215439

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)butanediamide?
The IUPAC name of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide (CID 23723809) is N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide.
What is the SMILES notation for N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide?
The canonical SMILES for N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(N)=O.
What is the InChIKey of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide?
The InChIKey is APKHSLFWLXBJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-28-12-11-25(22(27)9-8-21(23)26)16-17-5-4-10-24(15-17)20-13-18-6-2-3-7-19(18)14-20/h2-3,6-7,17,20H,4-5,8-16H2,1H3,(H2,23,26).
What are the key properties of N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide?
N'-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N'-(2-methoxyethyl)butanediamide has a molecular weight of 387.52 g/mol, XLogP of 1.61, 9 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]-N'-(2-methoxyethyl)butanediamide is sourced from PubChem (CID 23723809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).