2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide

C14H19N3O2S — CID 83015559

IUPAC2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)NN1CCCCC1
InChIInChI=1S/C14H19N3O2S/c15-14(20)11-6-2-3-7-12(11)19-10-13(18)16-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H2,15,20)(H,16,18)
InChIKeyGGNUZTHEKVHDDG-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide

2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide (PubChem CID 83015559) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
PubChem CID83015559
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)NN1CCCCC1
InChIInChI=1S/C14H19N3O2S/c15-14(20)11-6-2-3-7-12(11)19-10-13(18)16-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H2,15,20)(H,16,18)
InChIKeyGGNUZTHEKVHDDG-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.22
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

2-[2-oxo-2-(piperidin-1-ylamino)ethoxy]benzamide
CID 9083909
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
CID 83018834
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
CID 62094351
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
CID 43591453
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
CID 66354146
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
2-[2-(2-methylpyrrolidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 54882490

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide (CID 83015559) is 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide is NC(=S)c1ccccc1OCC(=O)NN1CCCCC1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide?
The InChIKey is GGNUZTHEKVHDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-14(20)11-6-2-3-7-12(11)19-10-13(18)16-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H2,15,20)(H,16,18).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide?
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide has a molecular weight of 293.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide is sourced from PubChem (CID 83015559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).