N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide

C14H17ClN4O2S — CID 57397441

IUPACN-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide
SMILESNC(=S)N1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN4O2S/c15-9-1-3-10(4-2-9)17-12(20)13(21)18-11-5-7-19(8-6-11)14(16)22/h1-4,11H,5-8H2,(H2,16,22)(H,17,20)(H,18,21)
InChIKeyVSBSPRRKYPIGTQ-UHFFFAOYSA-N
MW340.84 g/mol
LogP1.10
Rot. Bonds2

About N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide

N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide (PubChem CID 57397441) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide.

Molecular Properties

Compound NameN-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide
PubChem CID57397441
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC NameN-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide
SMILESNC(=S)N1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN4O2S/c15-9-1-3-10(4-2-9)17-12(20)13(21)18-11-5-7-19(8-6-11)14(16)22/h1-4,11H,5-8H2,(H2,16,22)(H,17,20)(H,18,21)
InChIKeyVSBSPRRKYPIGTQ-UHFFFAOYSA-N
XLogP1.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531047
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
ethyl 4-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108524123
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide
CID 7375562
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide?
The IUPAC name of N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide (CID 57397441) is N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide.
What is the SMILES notation for N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide?
The canonical SMILES for N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide is NC(=S)N1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide?
The InChIKey is VSBSPRRKYPIGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c15-9-1-3-10(4-2-9)17-12(20)13(21)18-11-5-7-19(8-6-11)14(16)22/h1-4,11H,5-8H2,(H2,16,22)(H,17,20)(H,18,21).
What are the key properties of N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide?
N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide has a molecular weight of 340.84 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylpiperidin-4-yl)-N'-(4-chlorophenyl)oxamide is sourced from PubChem (CID 57397441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).