2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

C18H29N3O3S — CID 48940020

IUPAC2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESN#CC1CCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H29N3O3S/c19-12-15-6-9-20(10-7-15)13-18(22)21(16-4-2-1-3-5-16)17-8-11-25(23,24)14-17/h15-17H,1-11,13-14H2
InChIKeyUHZIWPDWQXSJHX-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.57
Rot. Bonds4

About 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 48940020) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID48940020
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESN#CC1CCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H29N3O3S/c19-12-15-6-9-20(10-7-15)13-18(22)21(16-4-2-1-3-5-16)17-8-11-25(23,24)14-17/h15-17H,1-11,13-14H2
InChIKeyUHZIWPDWQXSJHX-UHFFFAOYSA-N
XLogP1.57
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919657
tert-butyl 4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55482342
N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42961087
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701508
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(triazol-1-yl)acetamide
CID 164640200
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 41046019
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30633266
2-(4-cyanophenoxy)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2576465

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 48940020) is 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is N#CC1CCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UHZIWPDWQXSJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c19-12-15-6-9-20(10-7-15)13-18(22)21(16-4-2-1-3-5-16)17-8-11-25(23,24)14-17/h15-17H,1-11,13-14H2.
What are the key properties of 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 367.52 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 48940020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).