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

C20H26N2O2 — CID 15132412

IUPAC3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(C(=O)N2CCCCC2CN2CCCC2)c2ccccc21
InChIInChI=1S/C20H26N2O2/c23-19-13-18(16-8-1-2-9-17(16)19)20(24)22-12-4-3-7-15(22)14-21-10-5-6-11-21/h1-2,8-9,15,18H,3-7,10-14H2
InChIKeyHHJMLLKTHKDCGA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.83
Rot. Bonds3

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

3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 15132412) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID15132412
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(C(=O)N2CCCCC2CN2CCCC2)c2ccccc21
InChIInChI=1S/C20H26N2O2/c23-19-13-18(16-8-1-2-9-17(16)19)20(24)22-12-4-3-7-15(22)14-21-10-5-6-11-21/h1-2,8-9,15,18H,3-7,10-14H2
InChIKeyHHJMLLKTHKDCGA-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 15132412) is 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is O=C1CC(C(=O)N2CCCCC2CN2CCCC2)c2ccccc21.
What is the InChIKey of 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is HHJMLLKTHKDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-13-18(16-8-1-2-9-17(16)19)20(24)22-12-4-3-7-15(22)14-21-10-5-6-11-21/h1-2,8-9,15,18H,3-7,10-14H2.
What are the key properties of 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 15132412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).