N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine

C28H37N3O — CID 45232706

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1[nH]c2ccccc2c1C)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C28H37N3O/c1-21-26-11-5-6-12-27(26)29-28(21)20-30(14-15-32-2)18-22-8-7-13-31(19-22)25-16-23-9-3-4-10-24(23)17-25/h3-6,9-12,22,25,29H,7-8,13-20H2,1-2H3
InChIKeyUZKJRBWJIXONRL-UHFFFAOYSA-N
MW431.62 g/mol
LogP4.80
Rot. Bonds8

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine (PubChem CID 45232706) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine
PubChem CID45232706
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1[nH]c2ccccc2c1C)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C28H37N3O/c1-21-26-11-5-6-12-27(26)29-28(21)20-30(14-15-32-2)18-22-8-7-13-31(19-22)25-16-23-9-3-4-10-24(23)17-25/h3-6,9-12,22,25,29H,7-8,13-20H2,1-2H3
InChIKeyUZKJRBWJIXONRL-UHFFFAOYSA-N
XLogP4.80
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 45195527
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
CID 31043035
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 72892920
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine
CID 25455629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 45223889
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 45169992
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 45186972
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 45197682
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 45235177
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
CID 97275119
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-(2H-indazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 45203136

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine (CID 45232706) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine is COCCN(Cc1[nH]c2ccccc2c1C)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine?
The InChIKey is UZKJRBWJIXONRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-21-26-11-5-6-12-27(26)29-28(21)20-30(14-15-32-2)18-22-8-7-13-31(19-22)25-16-23-9-3-4-10-24(23)17-25/h3-6,9-12,22,25,29H,7-8,13-20H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine has a molecular weight of 431.62 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 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]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine is sourced from PubChem (CID 45232706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).