N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

C23H29N3O — CID 23504889

IUPACN-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N)cc3)CC1)CC2
InChIInChI=1S/C23H29N3O/c1-16(27)25-22-9-6-19-2-3-20(23(19)14-22)15-26-12-10-18(11-13-26)17-4-7-21(24)8-5-17/h4-9,14,18,20H,2-3,10-13,15,24H2,1H3,(H,25,27)
InChIKeyHAXYMYBMIFIJST-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.14
Rot. Bonds4

About N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 23504889) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID23504889
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N)cc3)CC1)CC2
InChIInChI=1S/C23H29N3O/c1-16(27)25-22-9-6-19-2-3-20(23(19)14-22)15-26-12-10-18(11-13-26)17-4-7-21(24)8-5-17/h4-9,14,18,20H,2-3,10-13,15,24H2,1H3,(H,25,27)
InChIKeyHAXYMYBMIFIJST-UHFFFAOYSA-N
XLogP4.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 23504889) is N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N)cc3)CC1)CC2.
What is the InChIKey of N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is HAXYMYBMIFIJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(27)25-22-9-6-19-2-3-20(23(19)14-22)15-26-12-10-18(11-13-26)17-4-7-21(24)8-5-17/h4-9,14,18,20H,2-3,10-13,15,24H2,1H3,(H,25,27).
What are the key properties of N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 363.51 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 23504889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).