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

C24H25ClN4O2 — CID 53202309

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C24H25ClN4O2/c25-21-8-4-7-19(13-21)15-26-24(31)20-9-11-28(12-10-20)22-14-23(30)29(27-16-22)17-18-5-2-1-3-6-18/h1-8,13-14,16,20H,9-12,15,17H2,(H,26,31)
InChIKeyYCDKKLPMLHHHSB-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.48
Rot. Bonds6

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

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 53202309) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID53202309
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1
InChIInChI=1S/C24H25ClN4O2/c25-21-8-4-7-19(13-21)15-26-24(31)20-9-11-28(12-10-20)22-14-23(30)29(27-16-22)17-18-5-2-1-3-6-18/h1-8,13-14,16,20H,9-12,15,17H2,(H,26,31)
InChIKeyYCDKKLPMLHHHSB-UHFFFAOYSA-N
XLogP3.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53202280
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53202240
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53202272
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202295
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
CID 53202291
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 53204140
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95114431
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95114430
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide (CID 53202309) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YCDKKLPMLHHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-21-8-4-7-19(13-21)15-26-24(31)20-9-11-28(12-10-20)22-14-23(30)29(27-16-22)17-18-5-2-1-3-6-18/h1-8,13-14,16,20H,9-12,15,17H2,(H,26,31).
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).