2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one

C15H17NO3 — CID 50924682

IUPAC2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(O)C(=O)N1CCCCC1
InChIInChI=1S/C15H17NO3/c17-13-12-7-3-2-6-11(12)10-15(13,19)14(18)16-8-4-1-5-9-16/h2-3,6-7,19H,1,4-5,8-10H2
InChIKeyOTZHFCHWVUKWPP-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.17
Rot. Bonds1

About 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one

2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one (PubChem CID 50924682) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one.

Molecular Properties

Compound Name2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one
PubChem CID50924682
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(O)C(=O)N1CCCCC1
InChIInChI=1S/C15H17NO3/c17-13-12-7-3-2-6-11(12)10-15(13,19)14(18)16-8-4-1-5-9-16/h2-3,6-7,19H,1,4-5,8-10H2
InChIKeyOTZHFCHWVUKWPP-UHFFFAOYSA-N
XLogP1.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one?
The IUPAC name of 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one (CID 50924682) is 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one.
What is the SMILES notation for 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one?
The canonical SMILES for 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one is O=C1c2ccccc2CC1(O)C(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one?
The InChIKey is OTZHFCHWVUKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-12-7-3-2-6-11(12)10-15(13,19)14(18)16-8-4-1-5-9-16/h2-3,6-7,19H,1,4-5,8-10H2.
What are the key properties of 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one?
2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one has a molecular weight of 259.30 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(piperidine-1-carbonyl)-3H-inden-1-one is sourced from PubChem (CID 50924682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).