4-(piperidine-1-carbonyl)isochromen-1-one

C15H15NO3 — CID 10015322

IUPAC4-(piperidine-1-carbonyl)isochromen-1-one
SMILESO=C(c1coc(=O)c2ccccc12)N1CCCCC1
InChIInChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)13-10-19-15(18)12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyKOURANDLSLPUPE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.42
Rot. Bonds1

About 4-(piperidine-1-carbonyl)isochromen-1-one

4-(piperidine-1-carbonyl)isochromen-1-one (PubChem CID 10015322) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(piperidine-1-carbonyl)isochromen-1-one.

Molecular Properties

Compound Name4-(piperidine-1-carbonyl)isochromen-1-one
PubChem CID10015322
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(piperidine-1-carbonyl)isochromen-1-one
SMILESO=C(c1coc(=O)c2ccccc12)N1CCCCC1
InChIInChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)13-10-19-15(18)12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyKOURANDLSLPUPE-UHFFFAOYSA-N
XLogP2.42
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-1-carbonyl)isochromen-1-one?
The IUPAC name of 4-(piperidine-1-carbonyl)isochromen-1-one (CID 10015322) is 4-(piperidine-1-carbonyl)isochromen-1-one.
What is the SMILES notation for 4-(piperidine-1-carbonyl)isochromen-1-one?
The canonical SMILES for 4-(piperidine-1-carbonyl)isochromen-1-one is O=C(c1coc(=O)c2ccccc12)N1CCCCC1.
What is the InChIKey of 4-(piperidine-1-carbonyl)isochromen-1-one?
The InChIKey is KOURANDLSLPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-14(16-8-4-1-5-9-16)13-10-19-15(18)12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 4-(piperidine-1-carbonyl)isochromen-1-one?
4-(piperidine-1-carbonyl)isochromen-1-one has a molecular weight of 257.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-1-carbonyl)isochromen-1-one is sourced from PubChem (CID 10015322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).