[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C16H24N4O4 — CID 164636981

IUPAC[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCOc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)nn1C
InChIInChI=1S/C16H24N4O4/c1-11-13(16(23-3)18(2)17-11)15(22)20-8-6-19(7-9-20)14(21)12-5-4-10-24-12/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyORONMZRAKXIOHR-LBPRGKRZSA-N
MW336.39 g/mol
LogP0.20
Rot. Bonds3

About [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 164636981) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID164636981
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCOc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)nn1C
InChIInChI=1S/C16H24N4O4/c1-11-13(16(23-3)18(2)17-11)15(22)20-8-6-19(7-9-20)14(21)12-5-4-10-24-12/h12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyORONMZRAKXIOHR-LBPRGKRZSA-N
XLogP0.20
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
[4-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51075742
[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801177
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
4,5,6-trimethyl-3-[4-(oxolane-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 134699227
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
CID 91917560
[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800
4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
CID 126852228
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55522948

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 164636981) is [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is COc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C)nn1C.
What is the InChIKey of [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is ORONMZRAKXIOHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11-13(16(23-3)18(2)17-11)15(22)20-8-6-19(7-9-20)14(21)12-5-4-10-24-12/h12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 164636981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).