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

C16H23N3OS — CID 62388542

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2(C(N)=S)CCN(C)CC2)c1
InChIInChI=1S/C16H23N3OS/c1-12-4-3-5-13(10-12)11-14(20)18-16(15(17)21)6-8-19(2)9-7-16/h3-5,10H,6-9,11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyWWRDMFZBBQGXJM-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.40
Rot. Bonds4

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

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide (PubChem CID 62388542) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
PubChem CID62388542
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2(C(N)=S)CCN(C)CC2)c1
InChIInChI=1S/C16H23N3OS/c1-12-4-3-5-13(10-12)11-14(20)18-16(15(17)21)6-8-19(2)9-7-16/h3-5,10H,6-9,11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyWWRDMFZBBQGXJM-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

N-(1-carbamothioylcyclopentyl)-2-(3-methylphenyl)acetamide
CID 62388197
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
1-(1-carbamothioylcyclopentyl)-3-(3-methylphenyl)urea
CID 61122216
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2,3-dichlorobenzamide
CID 61123543
methyl 4-[[2-(2,4-dimethylphenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
CID 54374261
N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
CID 114752760
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide
CID 79095992
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126538
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide (CID 62388542) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC2(C(N)=S)CCN(C)CC2)c1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is WWRDMFZBBQGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-4-3-5-13(10-12)11-14(20)18-16(15(17)21)6-8-19(2)9-7-16/h3-5,10H,6-9,11H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 62388542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).