[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

C13H20N4O2 — CID 129470938

IUPAC[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C13H20N4O2/c1-15-4-3-14-13(15)17-7-5-16(6-8-17)12(18)11-2-9-19-10-11/h3-4,11H,2,5-10H2,1H3/t11-/m1/s1
InChIKeyPENUFOSBVOMHHK-LLVKDONJSA-N
MW264.33 g/mol
LogP0.11
Rot. Bonds2

About [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone

[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 129470938) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID129470938
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C13H20N4O2/c1-15-4-3-14-13(15)17-7-5-16(6-8-17)12(18)11-2-9-19-10-11/h3-4,11H,2,5-10H2,1H3/t11-/m1/s1
InChIKeyPENUFOSBVOMHHK-LLVKDONJSA-N
XLogP0.11
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone
CID 129378117
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122341099
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
4-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 138385150
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122336726
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95334679
(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779967

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 129470938) is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is Cn1ccnc1N1CCN(C(=O)[C@@H]2CCOC2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is PENUFOSBVOMHHK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-4-3-14-13(15)17-7-5-16(6-8-17)12(18)11-2-9-19-10-11/h3-4,11H,2,5-10H2,1H3/t11-/m1/s1.
What are the key properties of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 129470938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).