1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol

C17H29N5OS — CID 62707527

IUPAC1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
SMILESOC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1
InChIInChI=1S/C17H29N5OS/c23-15-5-4-10-22(13-15)17-19-18-16(24-17)21-11-6-14(7-12-21)20-8-2-1-3-9-20/h14-15,23H,1-13H2
InChIKeyLSGIMSTZCFZIKC-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.95
Rot. Bonds3

About 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol

1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol (PubChem CID 62707527) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
PubChem CID62707527
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol
SMILESOC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1
InChIInChI=1S/C17H29N5OS/c23-15-5-4-10-22(13-15)17-19-18-16(24-17)21-11-6-14(7-12-21)20-8-2-1-3-9-20/h14-15,23H,1-13H2
InChIKeyLSGIMSTZCFZIKC-UHFFFAOYSA-N
XLogP1.95
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol with MolForge

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Related Compounds

2-(3-phenylpiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377639
2-[3-(azepan-1-yl)piperidin-1-yl]-5-tert-butyl-1,3,4-thiadiazole
CID 133454456
2-(4-methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-3-pyrimidin-2-ylpiperidin-3-ol
CID 62705251
3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 58430756
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 64623500
2-(4-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317859
2-[(3S)-1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430491
1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]piperidin-3-ol
CID 70705789
2-(3,4-dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430464
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol (CID 62707527) is 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol is OC1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1.
What is the InChIKey of 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
The InChIKey is LSGIMSTZCFZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c23-15-5-4-10-22(13-15)17-19-18-16(24-17)21-11-6-14(7-12-21)20-8-2-1-3-9-20/h14-15,23H,1-13H2.
What are the key properties of 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol?
1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol has a molecular weight of 351.52 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 62707527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).