4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide

C15H20ClN3OS — CID 21450387

IUPAC4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3OS/c16-13-6-4-12(5-7-13)14(20)18-15(21)17-8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2,(H2,17,18,20,21)
InChIKeyYCLZKVBUJVAKJR-UHFFFAOYSA-N
MW325.86 g/mol
LogP2.43
Rot. Bonds4

About 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide

4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide (PubChem CID 21450387) has the molecular formula C15H20ClN3OS and a molecular weight of 325.86 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide
PubChem CID21450387
Molecular FormulaC15H20ClN3OS
Molecular Weight325.86 g/mol
Exact Mass325.10
IUPAC Name4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCN1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3OS/c16-13-6-4-12(5-7-13)14(20)18-15(21)17-8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2,(H2,17,18,20,21)
InChIKeyYCLZKVBUJVAKJR-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 52.43
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

4-chloro-N-[1-[2-[(4-chlorobenzoyl)carbamothioylamino]ethyl]-4,5-dihydroimidazol-2-yl]benzamide
CID 139084026
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 22322231
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide?
The IUPAC name of 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide (CID 21450387) is 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide is O=C(NC(=S)NCCN1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide?
The InChIKey is YCLZKVBUJVAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c16-13-6-4-12(5-7-13)14(20)18-15(21)17-8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2,(H2,17,18,20,21).
What are the key properties of 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide?
4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide has a molecular weight of 325.86 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide is sourced from PubChem (CID 21450387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).