N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

C27H32N4O4 — CID 53070510

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccc(OC)cc4OC)CC3)ccc2=O)cc1
InChIInChI=1S/C27H32N4O4/c1-4-19-5-8-22(9-6-19)31-26(32)12-11-25(29-31)30-15-13-20(14-16-30)27(33)28-18-21-7-10-23(34-2)17-24(21)35-3/h5-12,17,20H,4,13-16,18H2,1-3H3,(H,28,33)
InChIKeyOGLBMKLVJJVYHT-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.34
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53070510) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53070510
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccc(OC)cc4OC)CC3)ccc2=O)cc1
InChIInChI=1S/C27H32N4O4/c1-4-19-5-8-22(9-6-19)31-26(32)12-11-25(29-31)30-15-13-20(14-16-30)27(33)28-18-21-7-10-23(34-2)17-24(21)35-3/h5-12,17,20H,4,13-16,18H2,1-3H3,(H,28,33)
InChIKeyOGLBMKLVJJVYHT-UHFFFAOYSA-N
XLogP3.34
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070434
1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 53070446
(3R)-1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95069781
N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071111
(3S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069267
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070681
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53070496

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (CID 53070510) is N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is CCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccc(OC)cc4OC)CC3)ccc2=O)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is OGLBMKLVJJVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-4-19-5-8-22(9-6-19)31-26(32)12-11-25(29-31)30-15-13-20(14-16-30)27(33)28-18-21-7-10-23(34-2)17-24(21)35-3/h5-12,17,20H,4,13-16,18H2,1-3H3,(H,28,33).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53070510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).