1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone

C13H20N2O4 — CID 71871542

IUPAC1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C13H20N2O4/c1-18-10-12(16)14-5-7-15(8-6-14)13(17)11-4-2-3-9-19-11/h4H,2-3,5-10H2,1H3
InChIKeyIGDRZJXVUAYKMQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.00
Rot. Bonds3

About 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 71871542) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID71871542
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C13H20N2O4/c1-18-10-12(16)14-5-7-15(8-6-14)13(17)11-4-2-3-9-19-11/h4H,2-3,5-10H2,1H3
InChIKeyIGDRZJXVUAYKMQ-UHFFFAOYSA-N
XLogP-0.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone (CID 71871542) is 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IGDRZJXVUAYKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-10-12(16)14-5-7-15(8-6-14)13(17)11-4-2-3-9-19-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 268.31 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 71871542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).