[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C13H20N4O2S — CID 91813614

IUPAC[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C13H20N4O2S/c1-9-12(20-15-14-9)13(19)16-5-2-10(3-6-16)17-7-4-11(18)8-17/h10-11,18H,2-8H2,1H3
InChIKeyGOPPWCIURKMLKL-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.52
Rot. Bonds2

About [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 91813614) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID91813614
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C13H20N4O2S/c1-9-12(20-15-14-9)13(19)16-5-2-10(3-6-16)17-7-4-11(18)8-17/h10-11,18H,2-8H2,1H3
InChIKeyGOPPWCIURKMLKL-UHFFFAOYSA-N
XLogP0.52
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 91813614) is [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(N2CCC(O)C2)CC1.
What is the InChIKey of [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is GOPPWCIURKMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-12(20-15-14-9)13(19)16-5-2-10(3-6-16)17-7-4-11(18)8-17/h10-11,18H,2-8H2,1H3.
What are the key properties of [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 296.40 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxypyrrolidin-1-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 91813614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).