N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide

C16H32N4O3S — CID 42955196

IUPACN-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(S(=O)(=O)N2CCCCC2C)CC1
InChIInChI=1S/C16H32N4O3S/c1-4-14(2)17-16(21)13-18-9-11-19(12-10-18)24(22,23)20-8-6-5-7-15(20)3/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyYNGVUAUAGNVAIV-UHFFFAOYSA-N
MW360.52 g/mol
LogP0.64
Rot. Bonds6

About N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 42955196) has the molecular formula C16H32N4O3S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID42955196
Molecular FormulaC16H32N4O3S
Molecular Weight360.52 g/mol
Exact Mass360.22
IUPAC NameN-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(S(=O)(=O)N2CCCCC2C)CC1
InChIInChI=1S/C16H32N4O3S/c1-4-14(2)17-16(21)13-18-9-11-19(12-10-18)24(22,23)20-8-6-5-7-15(20)3/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyYNGVUAUAGNVAIV-UHFFFAOYSA-N
XLogP0.64
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide (CID 42955196) is N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(S(=O)(=O)N2CCCCC2C)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is YNGVUAUAGNVAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S/c1-4-14(2)17-16(21)13-18-9-11-19(12-10-18)24(22,23)20-8-6-5-7-15(20)3/h14-15H,4-13H2,1-3H3,(H,17,21).
What are the key properties of N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 360.52 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 42955196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).