3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C15H24N2O2 — CID 102648311

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H24N2O2/c18-15(14-5-1-2-11-19-14)13-4-3-10-17(13)12-6-8-16-9-7-12/h5,12-13,16H,1-4,6-11H2
InChIKeyVPYVVHWSZNIPCD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.47
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 102648311) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID102648311
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H24N2O2/c18-15(14-5-1-2-11-19-14)13-4-3-10-17(13)12-6-8-16-9-7-12/h5,12-13,16H,1-4,6-11H2
InChIKeyVPYVVHWSZNIPCD-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 102648311) is 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is O=C(C1=CCCCO1)C1CCCN1C1CCNCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is VPYVVHWSZNIPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-15(14-5-1-2-11-19-14)13-4-3-10-17(13)12-6-8-16-9-7-12/h5,12-13,16H,1-4,6-11H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 102648311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).