(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone

C13H24N2O3 — CID 114220982

IUPAC(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CCC(OC)CC1C
InChIInChI=1S/C13H24N2O3/c1-9-6-10(17-3)4-5-15(9)13(16)11-7-18-8-12(11)14-2/h9-12,14H,4-8H2,1-3H3
InChIKeyCDTJADXDQKVFPM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.25
Rot. Bonds3

About (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone

(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone (PubChem CID 114220982) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
PubChem CID114220982
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
SMILESCNC1COCC1C(=O)N1CCC(OC)CC1C
InChIInChI=1S/C13H24N2O3/c1-9-6-10(17-3)4-5-15(9)13(16)11-7-18-8-12(11)14-2/h9-12,14H,4-8H2,1-3H3
InChIKeyCDTJADXDQKVFPM-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)oxolan-3-yl]-(2-methylazepan-1-yl)methanone
CID 66266661
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
(3-methoxy-4-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 102957376
1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66267016
(4-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267148
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-(methylamino)oxolan-3-yl]methanone
CID 66265069
(3-ethylmorpholin-4-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66266572
(3-hydroxypiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66267351
(4-ethyl-3-methylpiperazin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone
CID 66265663
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
1-[4-(methylamino)oxolan-3-yl]prop-2-en-1-one
CID 116561380

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The IUPAC name of (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone (CID 114220982) is (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone is CNC1COCC1C(=O)N1CCC(OC)CC1C.
What is the InChIKey of (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
The InChIKey is CDTJADXDQKVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-6-10(17-3)4-5-15(9)13(16)11-7-18-8-12(11)14-2/h9-12,14H,4-8H2,1-3H3.
What are the key properties of (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone?
(4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone has a molecular weight of 256.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylpiperidin-1-yl)-[4-(methylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114220982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).