N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C18H28N4O2S — CID 56911946

IUPACN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C18H28N4O2S/c1-13(2)5-8-21-9-6-20-18(24)15(21)11-17(23)22(14-3-4-14)12-16-19-7-10-25-16/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,20,24)
InChIKeyFHSIBNYLRVYQQD-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.87
Rot. Bonds8

About N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 56911946) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID56911946
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC NameN-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C18H28N4O2S/c1-13(2)5-8-21-9-6-20-18(24)15(21)11-17(23)22(14-3-4-14)12-16-19-7-10-25-16/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,20,24)
InChIKeyFHSIBNYLRVYQQD-UHFFFAOYSA-N
XLogP1.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 56911946) is N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is FHSIBNYLRVYQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-13(2)5-8-21-9-6-20-18(24)15(21)11-17(23)22(14-3-4-14)12-16-19-7-10-25-16/h7,10,13-15H,3-6,8-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 364.52 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 56911946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).