oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide

C12H20N2O6 — CID 67099288

IUPACoxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide
SMILESO=C(NC1CCNCC1)[C@H]1CCCO1.O=C(O)C(=O)O
InChIInChI=1S/C10H18N2O2.C2H2O4/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8;3-1(4)2(5)6/h8-9,11H,1-7H2,(H,12,13);(H,3,4)(H,5,6)/t9-;/m1./s1
InChIKeyMLUGWXIGDPUMEC-SBSPUUFOSA-N
MW288.30 g/mol
LogP-0.81
Rot. Bonds2

About oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide

oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide (PubChem CID 67099288) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide.

Molecular Properties

Compound Nameoxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide
PubChem CID67099288
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Nameoxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide
SMILESO=C(NC1CCNCC1)[C@H]1CCCO1.O=C(O)C(=O)O
InChIInChI=1S/C10H18N2O2.C2H2O4/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8;3-1(4)2(5)6/h8-9,11H,1-7H2,(H,12,13);(H,3,4)(H,5,6)/t9-;/m1./s1
InChIKeyMLUGWXIGDPUMEC-SBSPUUFOSA-N
XLogP-0.81
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 40569533
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CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
N-piperidin-4-yl-1,4-dioxane-2-carboxamide
CID 43662827
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-(4-bromocyclohexyl)oxane-2-carboxamide
CID 114308956

Frequently Asked Questions

What is the IUPAC name of oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide?
The IUPAC name of oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide (CID 67099288) is oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide.
What is the SMILES notation for oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide?
The canonical SMILES for oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide is O=C(NC1CCNCC1)[C@H]1CCCO1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide?
The InChIKey is MLUGWXIGDPUMEC-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H2O4/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8;3-1(4)2(5)6/h8-9,11H,1-7H2,(H,12,13);(H,3,4)(H,5,6)/t9-;/m1./s1.
What are the key properties of oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide?
oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of -0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide is sourced from PubChem (CID 67099288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).