[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H26N4O2 — CID 129479414

IUPAC[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-15-14(5-4-12-23-15)17(22)21-10-8-20(9-11-21)16-6-7-18-13(2)19-16/h6-7,14-15H,3-5,8-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyYYKLRXWWBYITPA-GJZGRUSLSA-N
MW318.42 g/mol
LogP1.64
Rot. Bonds3

About [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 129479414) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID129479414
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-15-14(5-4-12-23-15)17(22)21-10-8-20(9-11-21)16-6-7-18-13(2)19-16/h6-7,14-15H,3-5,8-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyYYKLRXWWBYITPA-GJZGRUSLSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
CID 128995894
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 128995882
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584835
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 86791348
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 136530827

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 129479414) is [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is CC[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is YYKLRXWWBYITPA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-15-14(5-4-12-23-15)17(22)21-10-8-20(9-11-21)16-6-7-18-13(2)19-16/h6-7,14-15H,3-5,8-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129479414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).