N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

C18H21ClN4O2 — CID 71701098

IUPACN-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C18H21ClN4O2/c1-25-17-9-8-16(21-22-17)23-10-2-3-14(12-23)18(24)20-11-13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,20,24)
InChIKeyXSGSUZLGIDYLDW-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 71701098) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
PubChem CID71701098
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
SMILESCOc1ccc(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C18H21ClN4O2/c1-25-17-9-8-16(21-22-17)23-10-2-3-14(12-23)18(24)20-11-13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,20,24)
InChIKeyXSGSUZLGIDYLDW-UHFFFAOYSA-N
XLogP2.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide (CID 71701098) is N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is COc1ccc(N2CCCC(C(=O)NCc3ccc(Cl)cc3)C2)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is XSGSUZLGIDYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-17-9-8-16(21-22-17)23-10-2-3-14(12-23)18(24)20-11-13-4-6-15(19)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 71701098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).