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

C20H27N3O2 — CID 18915096

IUPAC6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)CC2C(=O)N1CCNCC1CN1CCCC1
InChIInChI=1S/C20H27N3O2/c1-14-4-5-16-17(10-14)19(24)11-18(16)20(25)23-9-6-21-12-15(23)13-22-7-2-3-8-22/h4-5,10,15,18,21H,2-3,6-9,11-13H2,1H3
InChIKeyUMENFWKVIMSVAB-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.56
Rot. Bonds3

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

6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 18915096) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID18915096
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCc1ccc2c(c1)C(=O)CC2C(=O)N1CCNCC1CN1CCCC1
InChIInChI=1S/C20H27N3O2/c1-14-4-5-16-17(10-14)19(24)11-18(16)20(25)23-9-6-21-12-15(23)13-22-7-2-3-8-22/h4-5,10,15,18,21H,2-3,6-9,11-13H2,1H3
InChIKeyUMENFWKVIMSVAB-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one (CID 18915096) is 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one is Cc1ccc2c(c1)C(=O)CC2C(=O)N1CCNCC1CN1CCCC1.
What is the InChIKey of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is UMENFWKVIMSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-4-5-16-17(10-14)19(24)11-18(16)20(25)23-9-6-21-12-15(23)13-22-7-2-3-8-22/h4-5,10,15,18,21H,2-3,6-9,11-13H2,1H3.
What are the key properties of 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one?
6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 341.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 18915096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).