N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide

C19H27N3O2 — CID 26327603

IUPACN-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCC(=O)NCCNC(=O)C1(N2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C19H27N3O2/c1-15(23)20-9-10-21-18(24)19(22-11-5-2-6-12-22)13-16-7-3-4-8-17(16)14-19/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyUJSTURQUQUMEDP-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.26
Rot. Bonds5

About N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide

N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 26327603) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID26327603
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCC(=O)NCCNC(=O)C1(N2CCCCC2)Cc2ccccc2C1
InChIInChI=1S/C19H27N3O2/c1-15(23)20-9-10-21-18(24)19(22-11-5-2-6-12-22)13-16-7-3-4-8-17(16)14-19/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyUJSTURQUQUMEDP-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide (CID 26327603) is N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide is CC(=O)NCCNC(=O)C1(N2CCCCC2)Cc2ccccc2C1.
What is the InChIKey of N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is UJSTURQUQUMEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(23)20-9-10-21-18(24)19(22-11-5-2-6-12-22)13-16-7-3-4-8-17(16)14-19/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide?
N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-piperidin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 26327603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).