[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C23H26N2O5S — CID 55508135

IUPAC[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C23H26N2O5S/c26-22(24-8-10-28-11-9-24)17-2-1-7-25(15-17)23(27)21-6-5-20(31-21)16-3-4-18-19(14-16)30-13-12-29-18/h3-6,14,17H,1-2,7-13,15H2
InChIKeyPUXJNKRBRFFOPV-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.90
Rot. Bonds3

About [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55508135) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55508135
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C23H26N2O5S/c26-22(24-8-10-28-11-9-24)17-2-1-7-25(15-17)23(27)21-6-5-20(31-21)16-3-4-18-19(14-16)30-13-12-29-18/h3-6,14,17H,1-2,7-13,15H2
InChIKeyPUXJNKRBRFFOPV-UHFFFAOYSA-N
XLogP2.90
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 18105362
(3-aminopiperidin-1-yl)-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]methanone;hydrochloride
CID 119381036
[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976994
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]methanone
CID 55806198
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 36676092
(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 18085272
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
4-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715827
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92760451

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55508135) is [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PUXJNKRBRFFOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c26-22(24-8-10-28-11-9-24)17-2-1-7-25(15-17)23(27)21-6-5-20(31-21)16-3-4-18-19(14-16)30-13-12-29-18/h3-6,14,17H,1-2,7-13,15H2.
What are the key properties of [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 442.54 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55508135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).