1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea

C19H19Cl2N3OS — CID 92519812

IUPAC1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea
SMILESO=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H19Cl2N3OS/c20-14-6-7-17(16(21)12-14)23-19(26)22-15-8-10-24(11-9-15)18(25)13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H2,22,23,26)
InChIKeyMNYRBYFZCYLERT-UHFFFAOYSA-N
MW408.35 g/mol
LogP4.58
Rot. Bonds3

About 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea

1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea (PubChem CID 92519812) has the molecular formula C19H19Cl2N3OS and a molecular weight of 408.35 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea
PubChem CID92519812
Molecular FormulaC19H19Cl2N3OS
Molecular Weight408.35 g/mol
Exact Mass407.06
IUPAC Name1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea
SMILESO=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H19Cl2N3OS/c20-14-6-7-17(16(21)12-14)23-19(26)22-15-8-10-24(11-9-15)18(25)13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H2,22,23,26)
InChIKeyMNYRBYFZCYLERT-UHFFFAOYSA-N
XLogP4.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzoylpiperidin-4-yl)-3-(2,4-dimethylphenyl)thiourea
CID 92519823
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
1-(1-benzoylpiperidin-4-yl)-3-(2,5-dimethylphenyl)thiourea
CID 94472172
1-(2,4-dichlorophenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 27024560
1-(1-benzoylpiperidin-4-yl)-3-(3,4-dimethylphenyl)thiourea
CID 92519816
4-[(2-amino-5-chlorophenyl)carbamothioylamino]piperidine-1-carboxylic acid
CID 88752482
1-(1-benzoylpiperidin-4-yl)-3-(4-phenoxyphenyl)thiourea
CID 92519825
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
ethyl 4-[(2-chlorophenyl)carbamothioylamino]piperidine-1-carboxylate
CID 3869393
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea (CID 92519812) is 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea is O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea?
The InChIKey is MNYRBYFZCYLERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3OS/c20-14-6-7-17(16(21)12-14)23-19(26)22-15-8-10-24(11-9-15)18(25)13-4-2-1-3-5-13/h1-7,12,15H,8-11H2,(H2,22,23,26).
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea?
1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea has a molecular weight of 408.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-3-(2,4-dichlorophenyl)thiourea is sourced from PubChem (CID 92519812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).