2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide

C15H21N3O2S — CID 81298280

IUPAC2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C(N)=S)c(N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C15H21N3O2S/c1-20-11-2-3-12(15(17)21)13(9-11)18-6-4-10(5-7-18)8-14(16)19/h2-3,9-10H,4-8H2,1H3,(H2,16,19)(H2,17,21)
InChIKeyBBFOMTUVOBKJLK-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide

2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide (PubChem CID 81298280) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide
PubChem CID81298280
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C(N)=S)c(N2CCC(CC(N)=O)CC2)c1
InChIInChI=1S/C15H21N3O2S/c1-20-11-2-3-12(15(17)21)13(9-11)18-6-4-10(5-7-18)8-14(16)19/h2-3,9-10H,4-8H2,1H3,(H2,16,19)(H2,17,21)
InChIKeyBBFOMTUVOBKJLK-UHFFFAOYSA-N
XLogP1.42
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide (CID 81298280) is 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide is COc1ccc(C(N)=S)c(N2CCC(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide?
The InChIKey is BBFOMTUVOBKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-20-11-2-3-12(15(17)21)13(9-11)18-6-4-10(5-7-18)8-14(16)19/h2-3,9-10H,4-8H2,1H3,(H2,16,19)(H2,17,21).
What are the key properties of 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide?
2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamothioyl-5-methoxyphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 81298280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).