1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

C27H30N4O2 — CID 53204034

IUPAC1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)C1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
InChIInChI=1S/C27H30N4O2/c32-26-16-23(17-28-31(26)18-20-8-2-1-3-9-20)30-15-7-12-22(19-30)27(33)29-25-14-6-11-21-10-4-5-13-24(21)25/h1-3,6,8-9,11,14,16-17,22H,4-5,7,10,12-13,15,18-19H2,(H,29,33)
InChIKeyFVRDFYSPMDXBHJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.03
Rot. Bonds5

About 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (PubChem CID 53204034) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
PubChem CID53204034
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)C1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
InChIInChI=1S/C27H30N4O2/c32-26-16-23(17-28-31(26)18-20-8-2-1-3-9-20)30-15-7-12-22(19-30)27(33)29-25-14-6-11-21-10-4-5-13-24(21)25/h1-3,6,8-9,11,14,16-17,22H,4-5,7,10,12-13,15,18-19H2,(H,29,33)
InChIKeyFVRDFYSPMDXBHJ-UHFFFAOYSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 95115832
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 53204040
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 53204023
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 53204140
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95115799
N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53204022
(3R)-N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115739
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95115735
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95115844
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 53204075

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (CID 53204034) is 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is O=C(Nc1cccc2c1CCCC2)C1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1.
What is the InChIKey of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The InChIKey is FVRDFYSPMDXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-26-16-23(17-28-31(26)18-20-8-2-1-3-9-20)30-15-7-12-22(19-30)27(33)29-25-14-6-11-21-10-4-5-13-24(21)25/h1-3,6,8-9,11,14,16-17,22H,4-5,7,10,12-13,15,18-19H2,(H,29,33).
What are the key properties of 1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.03, 5 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-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53204034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).