oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C15H21N3O2 — CID 110854880

IUPACoxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCO1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H21N3O2/c19-15(13-5-2-4-12-20-13)18-10-8-17(9-11-18)14-6-1-3-7-16-14/h1,3,6-7,13H,2,4-5,8-12H2
InChIKeyURVJCIGKMMJXRU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.30
Rot. Bonds2

About oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110854880) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110854880
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameoxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCO1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H21N3O2/c19-15(13-5-2-4-12-20-13)18-10-8-17(9-11-18)14-6-1-3-7-16-14/h1,3,6-7,13H,2,4-5,8-12H2
InChIKeyURVJCIGKMMJXRU-UHFFFAOYSA-N
XLogP1.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122349768
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74238548
(1S,2R,3S,4S)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98267170
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110854880) is oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(C1CCCCO1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is URVJCIGKMMJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(13-5-2-4-12-20-13)18-10-8-17(9-11-18)14-6-1-3-7-16-14/h1,3,6-7,13H,2,4-5,8-12H2.
What are the key properties of oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110854880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).