4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one

C12H18N2O3 — CID 71984349

IUPAC4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C12H18N2O3/c1-12(2)11(16)13-6-7-14(12)10(15)9-5-3-4-8-17-9/h5H,3-4,6-8H2,1-2H3,(H,13,16)
InChIKeyODYMGICWKHGQDA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.42
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one

4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 71984349) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID71984349
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1=CCCCO1
InChIInChI=1S/C12H18N2O3/c1-12(2)11(16)13-6-7-14(12)10(15)9-5-3-4-8-17-9/h5H,3-4,6-8H2,1-2H3,(H,13,16)
InChIKeyODYMGICWKHGQDA-UHFFFAOYSA-N
XLogP0.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one (CID 71984349) is 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1=CCCCO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is ODYMGICWKHGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2)11(16)13-6-7-14(12)10(15)9-5-3-4-8-17-9/h5H,3-4,6-8H2,1-2H3,(H,13,16).
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 71984349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).