[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone

C19H26N2O4 — CID 72846308

IUPAC[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H26N2O4/c1-19(12-15-3-4-16-17(11-15)25-14-24-16)5-2-6-21(13-19)18(22)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12-14H2,1H3
InChIKeyLSNSEGYTPYOBOT-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.51
Rot. Bonds2

About [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone

[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 72846308) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID72846308
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H26N2O4/c1-19(12-15-3-4-16-17(11-15)25-14-24-16)5-2-6-21(13-19)18(22)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12-14H2,1H3
InChIKeyLSNSEGYTPYOBOT-UHFFFAOYSA-N
XLogP2.51
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone (CID 72846308) is [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone is CC1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is LSNSEGYTPYOBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(12-15-3-4-16-17(11-15)25-14-24-16)5-2-6-21(13-19)18(22)20-7-9-23-10-8-20/h3-4,11H,2,5-10,12-14H2,1H3.
What are the key properties of [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone?
[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72846308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).