2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C16H23N3OS — CID 63589266

IUPAC2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cc2ccc(C(N)=S)cc2)CC1
InChIInChI=1S/C16H23N3OS/c1-18-9-7-14(8-10-18)19(2)15(20)11-12-3-5-13(6-4-12)16(17)21/h3-6,14H,7-11H2,1-2H3,(H2,17,21)
InChIKeyWQYMKARDWZFXJD-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 63589266) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID63589266
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cc2ccc(C(N)=S)cc2)CC1
InChIInChI=1S/C16H23N3OS/c1-18-9-7-14(8-10-18)19(2)15(20)11-12-3-5-13(6-4-12)16(17)21/h3-6,14H,7-11H2,1-2H3,(H2,17,21)
InChIKeyWQYMKARDWZFXJD-UHFFFAOYSA-N
XLogP1.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
CID 63590160
2-(4-carbamothioylphenyl)-N-(cyclopropylmethyl)-N-ethylacetamide
CID 63956825
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]benzamide
CID 163896272
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 63589266) is 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cc2ccc(C(N)=S)cc2)CC1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is WQYMKARDWZFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-18-9-7-14(8-10-18)19(2)15(20)11-12-3-5-13(6-4-12)16(17)21/h3-6,14H,7-11H2,1-2H3,(H2,17,21).
What are the key properties of 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 63589266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).