(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone

C13H24N2O3 — CID 102957376

IUPAC(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C13H24N2O3/c1-9-4-5-15(6-12(9)17-3)13(16)10-7-18-8-11(10)14-2/h9-12,14H,4-8H2,1-3H3
InChIKeyMYQMPLNUCVJNFK-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.10
Rot. Bonds3

About (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone

(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 102957376) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID102957376
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C13H24N2O3/c1-9-4-5-15(6-12(9)17-3)13(16)10-7-18-8-11(10)14-2/h9-12,14H,4-8H2,1-3H3
InChIKeyMYQMPLNUCVJNFK-UHFFFAOYSA-N
XLogP0.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
[4-(methylamino)oxolan-3-yl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 66265073
2-(3-methoxy-4-methylpiperidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 102956696
(4-ethyl-3-methylpiperazin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66265663
(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 114220982
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
3-[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-4-yl]propanoic acid
CID 66267039
N-ethyl-1-[4-(methylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66267202
1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102957368
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
[1-[4-(methylamino)oxolane-3-carbonyl]piperidin-3-yl]methylurea
CID 66265033

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone (CID 102957376) is (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)N1CCC(C)C(OC)C1.
What is the InChIKey of (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is MYQMPLNUCVJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-4-5-15(6-12(9)17-3)13(16)10-7-18-8-11(10)14-2/h9-12,14H,4-8H2,1-3H3.
What are the key properties of (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone has a molecular weight of 256.35 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 102957376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).