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

C15H28N2O3 — CID 107392404

IUPAC(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-16-13-10-20-9-12(13)14(18)17-8-5-6-15(2,11-17)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyXWAYTGIZBMVFAM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.03
Rot. Bonds5

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

(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 107392404) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID107392404
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-16-13-10-20-9-12(13)14(18)17-8-5-6-15(2,11-17)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyXWAYTGIZBMVFAM-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (CID 107392404) is (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is XWAYTGIZBMVFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-16-13-10-20-9-12(13)14(18)17-8-5-6-15(2,11-17)19-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 107392404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).