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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Related Compounds

N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 97090915
4-(2,3-Dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863841
1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one
CID 71924801
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-ethylpiperazin-2-one
CID 71926647
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-methylpiperazin-2-one
CID 71926656
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71970268
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973242
4-(3,4-dihydro-2H-pyran-6-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 71998166
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 96568285
4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide
CID 97031670
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039142

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).