1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone

C11H18N2O2 — CID 116559609

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1=COCCC1
InChIInChI=1S/C11H18N2O2/c14-11(10-2-1-7-15-9-10)8-13-5-3-12-4-6-13/h9,12H,1-8H2
InChIKeyCCOZKZHKTXNJCH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.16
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone

1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone (PubChem CID 116559609) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone
PubChem CID116559609
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)C1=COCCC1
InChIInChI=1S/C11H18N2O2/c14-11(10-2-1-7-15-9-10)8-13-5-3-12-4-6-13/h9,12H,1-8H2
InChIKeyCCOZKZHKTXNJCH-UHFFFAOYSA-N
XLogP0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-1-(2,3-dihydrofuran-4-yl)ethanone
CID 130579654
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone
CID 116559476
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558938
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
2-piperazin-1-ylacetyl iodide
CID 153235141
CID 140659696
CID 140659696
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone (CID 116559609) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone?
The InChIKey is CCOZKZHKTXNJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11(10-2-1-7-15-9-10)8-13-5-3-12-4-6-13/h9,12H,1-8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone?
1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone has a molecular weight of 210.28 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 116559609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).