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

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Related Compounds

(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
(3S)-N-[(4-chlorophenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30356026
N-[(2-methoxyphenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71706569
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785732
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 121118591

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).