(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol

C15H25N3OS — CID 70721674

IUPAC(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
SMILESCC(C)c1nnc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)s1
InChIInChI=1S/C15H25N3OS/c1-10(2)13-16-17-14(20-13)18-8-7-15(19,11(3)9-18)12-5-4-6-12/h10-12,19H,4-9H2,1-3H3/t11-,15+/m1/s1
InChIKeyBOZGSWFFGRLXQY-ABAIWWIYSA-N
MW295.45 g/mol
LogP3.04
Rot. Bonds3

About (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol

(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol (PubChem CID 70721674) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
PubChem CID70721674
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
SMILESCC(C)c1nnc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)s1
InChIInChI=1S/C15H25N3OS/c1-10(2)13-16-17-14(20-13)18-8-7-15(19,11(3)9-18)12-5-4-6-12/h10-12,19H,4-9H2,1-3H3/t11-,15+/m1/s1
InChIKeyBOZGSWFFGRLXQY-ABAIWWIYSA-N
XLogP3.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS,8aS)-7-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72879906
(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 70742415
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448336
(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
CID 72925819
2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
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CID 133383751
N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155799761
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
2-propan-2-yl-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,3,4-thiadiazole
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2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133382514
formic acid;2-methyl-9-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-4-ol
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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol (CID 70721674) is (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol is CC(C)c1nnc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)s1.
What is the InChIKey of (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The InChIKey is BOZGSWFFGRLXQY-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)13-16-17-14(20-13)18-8-7-15(19,11(3)9-18)12-5-4-6-12/h10-12,19H,4-9H2,1-3H3/t11-,15+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol has a molecular weight of 295.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 70721674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).