2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide

C16H29N3O4S — CID 170758306

IUPAC2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide
SMILESCC(=O)N1CCN(CC2CCCCC2)C(CC(=O)NS(C)(=O)=O)C1
InChIInChI=1S/C16H29N3O4S/c1-13(20)18-8-9-19(11-14-6-4-3-5-7-14)15(12-18)10-16(21)17-24(2,22)23/h14-15H,3-12H2,1-2H3,(H,17,21)
InChIKeyNJBVASDIPHBJIX-UHFFFAOYSA-N
MW359.49 g/mol
LogP0.57
Rot. Bonds5

About 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide

2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide (PubChem CID 170758306) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide
PubChem CID170758306
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC Name2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide
SMILESCC(=O)N1CCN(CC2CCCCC2)C(CC(=O)NS(C)(=O)=O)C1
InChIInChI=1S/C16H29N3O4S/c1-13(20)18-8-9-19(11-14-6-4-3-5-7-14)15(12-18)10-16(21)17-24(2,22)23/h14-15H,3-12H2,1-2H3,(H,17,21)
InChIKeyNJBVASDIPHBJIX-UHFFFAOYSA-N
XLogP0.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid
CID 175485244
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784735
2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
CID 90584553
2-[cyclohexylmethyl-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]amino]-N-methylsulfonylacetamide
CID 170757952
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
methyl 1-(cyclopentylmethyl)azetidine-2-carboxylate
CID 112581184
1-acetyl-4-(2-cyclopropylacetyl)-1,4-diazepane-6-carboxamide
CID 110098430
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide
CID 128904827
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718

Frequently Asked Questions

What is the IUPAC name of 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide (CID 170758306) is 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide is CC(=O)N1CCN(CC2CCCCC2)C(CC(=O)NS(C)(=O)=O)C1.
What is the InChIKey of 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide?
The InChIKey is NJBVASDIPHBJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-13(20)18-8-9-19(11-14-6-4-3-5-7-14)15(12-18)10-16(21)17-24(2,22)23/h14-15H,3-12H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide?
2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide has a molecular weight of 359.49 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetyl-1-(cyclohexylmethyl)piperazin-2-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 170758306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).