(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide

C17H26N4O4 — CID 131920373

IUPAC(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(CNC(=O)[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C17H26N4O4/c1-23-14-10-15(24-2)20-17(19-14)21-7-5-12(6-8-21)11-18-16(22)13-4-3-9-25-13/h10,12-13H,3-9,11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyMLNHPHSJSBSVES-CYBMUJFWSA-N
MW350.42 g/mol
LogP1.01
Rot. Bonds6

About (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 131920373) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID131920373
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(CNC(=O)[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C17H26N4O4/c1-23-14-10-15(24-2)20-17(19-14)21-7-5-12(6-8-21)11-18-16(22)13-4-3-9-25-13/h10,12-13H,3-9,11H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyMLNHPHSJSBSVES-CYBMUJFWSA-N
XLogP1.01
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 131914815
methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
CID 67209275
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 108922104
1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 71703610
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119898772
2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 3365108
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide (CID 131920373) is (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide is COc1cc(OC)nc(N2CCC(CNC(=O)[C@H]3CCCO3)CC2)n1.
What is the InChIKey of (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is MLNHPHSJSBSVES-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-23-14-10-15(24-2)20-17(19-14)21-7-5-12(6-8-21)11-18-16(22)13-4-3-9-25-13/h10,12-13H,3-9,11H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 131920373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).