4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C17H18Cl2N4O — CID 113108791

IUPAC4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H18Cl2N4O/c18-14-1-2-16(15(19)11-14)22-7-9-23(10-8-22)17(24)21-12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyIRNTXIWVGUGHFR-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.42
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108791) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID113108791
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H18Cl2N4O/c18-14-1-2-16(15(19)11-14)22-7-9-23(10-8-22)17(24)21-12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyIRNTXIWVGUGHFR-UHFFFAOYSA-N
XLogP3.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide 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

4-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108765
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
4-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazine-1-carboxamide
CID 56762086
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113108755
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 113108277

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 113108791) is 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is IRNTXIWVGUGHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-14-1-2-16(15(19)11-14)22-7-9-23(10-8-22)17(24)21-12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).