oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate

C18H26N2O5 — CID 121182592

IUPACoxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OCC3CCCO3)CC2)cc(=O)n1C
InChIInChI=1S/C18H26N2O5/c1-13-10-16(11-17(21)19(13)2)25-14-5-7-20(8-6-14)18(22)24-12-15-4-3-9-23-15/h10-11,14-15H,3-9,12H2,1-2H3
InChIKeyJMBKRYVLBQFPSR-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.85
Rot. Bonds4

About oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate

oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate (PubChem CID 121182592) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate
PubChem CID121182592
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameoxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OCC3CCCO3)CC2)cc(=O)n1C
InChIInChI=1S/C18H26N2O5/c1-13-10-16(11-17(21)19(13)2)25-14-5-7-20(8-6-14)18(22)24-12-15-4-3-9-23-15/h10-11,14-15H,3-9,12H2,1-2H3
InChIKeyJMBKRYVLBQFPSR-UHFFFAOYSA-N
XLogP1.85
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
oxolan-2-ylmethyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 3396448
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
4-[1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156325
5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 154752669
oxolan-2-ylmethyl 4-[4-amino-3-(trifluoromethoxy)benzoyl]piperazine-1-carboxylate
CID 139375926
4-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 117054351

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate (CID 121182592) is oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate is Cc1cc(OC2CCN(C(=O)OCC3CCCO3)CC2)cc(=O)n1C.
What is the InChIKey of oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate?
The InChIKey is JMBKRYVLBQFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13-10-16(11-17(21)19(13)2)25-14-5-7-20(8-6-14)18(22)24-12-15-4-3-9-23-15/h10-11,14-15H,3-9,12H2,1-2H3.
What are the key properties of oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate?
oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 121182592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).