6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one

C21H28N2O2 — CID 15132413

IUPAC6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)CC2C(=O)N1CCCCC1CN1CCCC1
InChIInChI=1S/C21H28N2O2/c1-15-7-8-17-18(12-15)20(24)13-19(17)21(25)23-11-3-2-6-16(23)14-22-9-4-5-10-22/h7-8,12,16,19H,2-6,9-11,13-14H2,1H3
InChIKeyFFIQCDFIMNSUNA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.14
Rot. Bonds3

About 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one

6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 15132413) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID15132413
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)CC2C(=O)N1CCCCC1CN1CCCC1
InChIInChI=1S/C21H28N2O2/c1-15-7-8-17-18(12-15)20(24)13-19(17)21(25)23-11-3-2-6-16(23)14-22-9-4-5-10-22/h7-8,12,16,19H,2-6,9-11,13-14H2,1H3
InChIKeyFFIQCDFIMNSUNA-UHFFFAOYSA-N
XLogP3.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 15132413) is 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is Cc1ccc2c(c1)C(=O)CC2C(=O)N1CCCCC1CN1CCCC1.
What is the InChIKey of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is FFIQCDFIMNSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-7-8-17-18(12-15)20(24)13-19(17)21(25)23-11-3-2-6-16(23)14-22-9-4-5-10-22/h7-8,12,16,19H,2-6,9-11,13-14H2,1H3.
What are the key properties of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 15132413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).