1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone

C22H28N4O3S — CID 58430545

IUPAC1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nnc(N2CCC(N3CCC4(CC3)OCCO4)CC2)s1
InChIInChI=1S/C22H28N4O3S/c1-16(27)18-4-2-3-5-19(18)20-23-24-21(30-20)26-10-6-17(7-11-26)25-12-8-22(9-13-25)28-14-15-29-22/h2-5,17H,6-15H2,1H3
InChIKeyGZZWJBPIPKWPAG-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone

1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 58430545) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone
PubChem CID58430545
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nnc(N2CCC(N3CCC4(CC3)OCCO4)CC2)s1
InChIInChI=1S/C22H28N4O3S/c1-16(27)18-4-2-3-5-19(18)20-23-24-21(30-20)26-10-6-17(7-11-26)25-12-8-22(9-13-25)28-14-15-29-22/h2-5,17H,6-15H2,1H3
InChIKeyGZZWJBPIPKWPAG-UHFFFAOYSA-N
XLogP3.22
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 58430545) is 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1nnc(N2CCC(N3CCC4(CC3)OCCO4)CC2)s1.
What is the InChIKey of 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The InChIKey is GZZWJBPIPKWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-16(27)18-4-2-3-5-19(18)20-23-24-21(30-20)26-10-6-17(7-11-26)25-12-8-22(9-13-25)28-14-15-29-22/h2-5,17H,6-15H2,1H3.
What are the key properties of 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone has a molecular weight of 428.56 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 58430545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).