2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide

C16H23N3OS — CID 107161677

IUPAC2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C)(C(N)=S)CC2)c1
InChIInChI=1S/C16H23N3OS/c1-12-4-3-5-13(10-12)18-14(20)11-19-8-6-16(2,7-9-19)15(17)21/h3-5,10H,6-9,11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyMHVBHAMWEKUYFH-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide

2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 107161677) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID107161677
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C)(C(N)=S)CC2)c1
InChIInChI=1S/C16H23N3OS/c1-12-4-3-5-13(10-12)18-14(20)11-19-8-6-16(2,7-9-19)15(17)21/h3-5,10H,6-9,11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyMHVBHAMWEKUYFH-UHFFFAOYSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 63338844
2-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 165434132
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide (CID 107161677) is 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCC(C)(C(N)=S)CC2)c1.
What is the InChIKey of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is MHVBHAMWEKUYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-4-3-5-13(10-12)18-14(20)11-19-8-6-16(2,7-9-19)15(17)21/h3-5,10H,6-9,11H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide?
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 107161677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).