4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide

C17H20N4O2 — CID 108887249

IUPAC4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c22-16-7-6-15(19-20-16)18-17(23)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,22)(H,18,19,23)
InChIKeyGBDPVIHCHSRNLX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds3

About 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide

4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 108887249) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
PubChem CID108887249
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N4O2/c22-16-7-6-15(19-20-16)18-17(23)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,22)(H,18,19,23)
InChIKeyGBDPVIHCHSRNLX-UHFFFAOYSA-N
XLogP2.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
4-(2-aminoethyl)-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887317
4-formyl-N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
CID 108887439
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (CID 108887249) is 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is O=C(Nc1ccc(=O)[nH]n1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is GBDPVIHCHSRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16-7-6-15(19-20-16)18-17(23)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,20,22)(H,18,19,23).
What are the key properties of 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108887249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).