1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C19H26N2O4 — CID 95111788

IUPAC1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C19H26N2O4/c22-19(15-4-5-17-18(13-15)25-14-24-17)21-7-2-1-3-16(21)6-8-20-9-11-23-12-10-20/h4-5,13,16H,1-3,6-12,14H2/t16-/m0/s1
InChIKeyNZKOWPUJLNALSC-INIZCTEOSA-N
MW346.43 g/mol
LogP2.13
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 95111788) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID95111788
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C19H26N2O4/c22-19(15-4-5-17-18(13-15)25-14-24-17)21-7-2-1-3-16(21)6-8-20-9-11-23-12-10-20/h4-5,13,16H,1-3,6-12,14H2/t16-/m0/s1
InChIKeyNZKOWPUJLNALSC-INIZCTEOSA-N
XLogP2.13
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
1,3-benzodioxol-5-yl-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 63396877
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 93042933
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
[2-(bromomethyl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 80659559
1,3-benzodioxol-5-yl-[(2S)-2-benzylpyrrolidin-1-yl]methanone
CID 32822886
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422667
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 119468657
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468235
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 95111788) is 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1CCN1CCOCC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is NZKOWPUJLNALSC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-19(15-4-5-17-18(13-15)25-14-24-17)21-7-2-1-3-16(21)6-8-20-9-11-23-12-10-20/h4-5,13,16H,1-3,6-12,14H2/t16-/m0/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95111788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).