2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C15H23N5O3S — CID 51599291

IUPAC2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)s1
InChIInChI=1S/C15H23N5O3S/c1-23-9-13-18-19-15(24-13)17-12(21)8-11-14(22)16-6-7-20(11)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,22)(H,17,19,21)/t11-/m1/s1
InChIKeyAUODSHWOCLNFGJ-LLVKDONJSA-N
MW353.45 g/mol
LogP0.76
Rot. Bonds6

About 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 51599291) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID51599291
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)s1
InChIInChI=1S/C15H23N5O3S/c1-23-9-13-18-19-15(24-13)17-12(21)8-11-14(22)16-6-7-20(11)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,22)(H,17,19,21)/t11-/m1/s1
InChIKeyAUODSHWOCLNFGJ-LLVKDONJSA-N
XLogP0.76
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 51599291) is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)C[C@@H]2C(=O)NCCN2C2CCCC2)s1.
What is the InChIKey of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AUODSHWOCLNFGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-23-9-13-18-19-15(24-13)17-12(21)8-11-14(22)16-6-7-20(11)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,16,22)(H,17,19,21)/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 51599291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).