4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide

C14H19N3OS — CID 43373646

IUPAC4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(C(N)=S)cc2)CC1
InChIInChI=1S/C14H19N3OS/c1-17-8-6-12(7-9-17)16-14(18)11-4-2-10(3-5-11)13(15)19/h2-5,12H,6-9H2,1H3,(H2,15,19)(H,16,18)
InChIKeyLDYYJCLYUXSMTP-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.14
Rot. Bonds3

About 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide

4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 43373646) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID43373646
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(C(N)=S)cc2)CC1
InChIInChI=1S/C14H19N3OS/c1-17-8-6-12(7-9-17)16-14(18)11-4-2-10(3-5-11)13(15)19/h2-5,12H,6-9H2,1H3,(H2,15,19)(H,16,18)
InChIKeyLDYYJCLYUXSMTP-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.14
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

ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]boronic acid
CID 140843225
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 138998650
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
2-methylidene-N-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 126607254
4-[dimethylsulfamoyl(methyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278389

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide (CID 43373646) is 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccc(C(N)=S)cc2)CC1.
What is the InChIKey of 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is LDYYJCLYUXSMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17-8-6-12(7-9-17)16-14(18)11-4-2-10(3-5-11)13(15)19/h2-5,12H,6-9H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide?
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 277.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 43373646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).