4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine

C18H30N4OS — CID 133338547

IUPAC4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCC2CCN(c3nc(C4CC4)ns3)CC2)CC(C)O1
InChIInChI=1S/C18H30N4OS/c1-13-11-21(12-14(2)23-13)8-5-15-6-9-22(10-7-15)18-19-17(20-24-18)16-3-4-16/h13-16H,3-12H2,1-2H3
InChIKeyBPVPNEQLUHZTMV-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.13
Rot. Bonds5

About 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine

4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine (PubChem CID 133338547) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
PubChem CID133338547
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCC2CCN(c3nc(C4CC4)ns3)CC2)CC(C)O1
InChIInChI=1S/C18H30N4OS/c1-13-11-21(12-14(2)23-13)8-5-15-6-9-22(10-7-15)18-19-17(20-24-18)16-3-4-16/h13-16H,3-12H2,1-2H3
InChIKeyBPVPNEQLUHZTMV-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
CID 71925342
4-[2-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyethyl]morpholine
CID 84585899
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
6-methyl-4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 121556130
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
CID 164640503
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65280574
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 71925340
9-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71968532
2,6-Dimethyl-4-[2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]morpholine
CID 71976810
3-Cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 75506049
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine-2-carbonitrile
CID 79675070
1-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]-N-methylmethanamine
CID 81686998

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine (CID 133338547) is 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine is CC1CN(CCC2CCN(c3nc(C4CC4)ns3)CC2)CC(C)O1.
What is the InChIKey of 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The InChIKey is BPVPNEQLUHZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-13-11-21(12-14(2)23-13)8-5-15-6-9-22(10-7-15)18-19-17(20-24-18)16-3-4-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine has a molecular weight of 350.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 133338547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).