1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

C19H22N4O4S — CID 75278329

IUPAC1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)C(=O)N1
InChIInChI=1S/C19H22N4O4S/c24-16-7-11-23(18(26)21-16)12-8-17(25)22-9-5-13(6-10-22)27-19-20-14-3-1-2-4-15(14)28-19/h1-4,13H,5-12H2,(H,21,24,26)
InChIKeyQUWXGOFMRCHJFI-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.00
Rot. Bonds5

About 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione

1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione (PubChem CID 75278329) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione
PubChem CID75278329
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CCC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)C(=O)N1
InChIInChI=1S/C19H22N4O4S/c24-16-7-11-23(18(26)21-16)12-8-17(25)22-9-5-13(6-10-22)27-19-20-14-3-1-2-4-15(14)28-19/h1-4,13H,5-12H2,(H,21,24,26)
InChIKeyQUWXGOFMRCHJFI-UHFFFAOYSA-N
XLogP2.00
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

4-(1,3-benzothiazol-2-yloxy)cyclohexan-1-one
CID 138676550
3-(1,3-benzothiazol-2-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60958041
3-(1,3-benzothiazol-2-yl)-1-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91907681
1,7-bis[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]heptane-1,7-dione
CID 59031007
methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 2516173
1-[4-(1,3-benzothiazol-2-yl)butanoyl]piperidin-4-one
CID 4875623
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
(3aR,7aR)-2-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 40891172
3-(1,3-benzothiazol-2-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131918
3-(1,3-benzothiazol-2-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17495119
3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982273
4-(1,3-benzothiazol-2-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119546602

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione (CID 75278329) is 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione is O=C1CCN(CCC(=O)N2CCC(Oc3nc4ccccc4s3)CC2)C(=O)N1.
What is the InChIKey of 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
The InChIKey is QUWXGOFMRCHJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c24-16-7-11-23(18(26)21-16)12-8-17(25)22-9-5-13(6-10-22)27-19-20-14-3-1-2-4-15(14)28-19/h1-4,13H,5-12H2,(H,21,24,26).
What are the key properties of 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione?
1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione has a molecular weight of 402.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,3-benzothiazol-2-yloxy)piperidin-1-yl]-3-oxopropyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 75278329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).