tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate

C16H25NO8 — CID 5232230

IUPACtetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate
SMILESCOC(=O)C(C(=O)OC)C(C1CCNCC1)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H25NO8/c1-22-13(18)11(14(19)23-2)10(9-5-7-17-8-6-9)12(15(20)24-3)16(21)25-4/h9-12,17H,5-8H2,1-4H3
InChIKeyQBISSKVDOWFTRV-UHFFFAOYSA-N
MW359.38 g/mol
LogP-0.47
Rot. Bonds7

About tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate

tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate (PubChem CID 5232230) has the molecular formula C16H25NO8 and a molecular weight of 359.38 g/mol. Its IUPAC name is tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate
PubChem CID5232230
Molecular FormulaC16H25NO8
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Nametetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate
SMILESCOC(=O)C(C(=O)OC)C(C1CCNCC1)C(C(=O)OC)C(=O)OC
InChIInChI=1S/C16H25NO8/c1-22-13(18)11(14(19)23-2)10(9-5-7-17-8-6-9)12(15(20)24-3)16(21)25-4/h9-12,17H,5-8H2,1-4H3
InChIKeyQBISSKVDOWFTRV-UHFFFAOYSA-N
XLogP-0.47
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
2-methoxy-2-piperidin-4-ylacetamide
CID 126521917
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
CID 116825136
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
CID 177156090
4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
tetramethyl 2-methylpropane-1,1,3,3-tetracarboxylate
CID 2192496

Frequently Asked Questions

What is the IUPAC name of tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate?
The IUPAC name of tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate (CID 5232230) is tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate.
What is the SMILES notation for tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate?
The canonical SMILES for tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate is COC(=O)C(C(=O)OC)C(C1CCNCC1)C(C(=O)OC)C(=O)OC.
What is the InChIKey of tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate?
The InChIKey is QBISSKVDOWFTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO8/c1-22-13(18)11(14(19)23-2)10(9-5-7-17-8-6-9)12(15(20)24-3)16(21)25-4/h9-12,17H,5-8H2,1-4H3.
What are the key properties of tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate?
tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate has a molecular weight of 359.38 g/mol, XLogP of -0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate is sourced from PubChem (CID 5232230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).