2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide

C23H29N3O2S — CID 59786839

IUPAC2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide
SMILESCC1CCCC(C)N1CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H29N3O2S/c1-17-8-6-9-18(2)26(17)15-22(27)25-23(29)24-20-12-7-13-21(14-20)28-16-19-10-4-3-5-11-19/h3-5,7,10-14,17-18H,6,8-9,15-16H2,1-2H3,(H2,24,25,27,29)
InChIKeyZCSLRCVGPDVWBY-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.34
Rot. Bonds6

About 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide

2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide (PubChem CID 59786839) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide
PubChem CID59786839
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide
SMILESCC1CCCC(C)N1CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H29N3O2S/c1-17-8-6-9-18(2)26(17)15-22(27)25-23(29)24-20-12-7-13-21(14-20)28-16-19-10-4-3-5-11-19/h3-5,7,10-14,17-18H,6,8-9,15-16H2,1-2H3,(H2,24,25,27,29)
InChIKeyZCSLRCVGPDVWBY-UHFFFAOYSA-N
XLogP4.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
2,2-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17086198
2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 87958494
methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175693
4-(2-phenoxyethoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086224
3-phenylmethoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779899
N-[(3-phenylmethoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide
CID 25173086
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302
2-(2-methylpropoxy)-N-[(3-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 17086217
2,5-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
CID 142677309
3-cyclohexyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]propanamide
CID 17123697
ethyl 1-[2-oxo-2-(3-phenylmethoxyanilino)ethyl]piperidine-4-carboxylate
CID 54837787

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide (CID 59786839) is 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide is CC1CCCC(C)N1CC(=O)NC(=S)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide?
The InChIKey is ZCSLRCVGPDVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-17-8-6-9-18(2)26(17)15-22(27)25-23(29)24-20-12-7-13-21(14-20)28-16-19-10-4-3-5-11-19/h3-5,7,10-14,17-18H,6,8-9,15-16H2,1-2H3,(H2,24,25,27,29).
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide?
2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide has a molecular weight of 411.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)-N-[(3-phenylmethoxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 59786839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).