1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide

C26H30N4O2 — CID 53071041

IUPAC1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCCc1ccc(-n2nc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)ccc2=O)cc1
InChIInChI=1S/C26H30N4O2/c1-3-20-11-13-23(14-12-20)30-25(31)16-15-24(28-30)29-17-7-10-22(18-29)26(32)27-19(2)21-8-5-4-6-9-21/h4-6,8-9,11-16,19,22H,3,7,10,17-18H2,1-2H3,(H,27,32)
InChIKeyACEIJDPLRNCLAZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.89
Rot. Bonds6

About 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide

1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 53071041) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID53071041
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCCc1ccc(-n2nc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)ccc2=O)cc1
InChIInChI=1S/C26H30N4O2/c1-3-20-11-13-23(14-12-20)30-25(31)16-15-24(28-30)29-17-7-10-22(18-29)26(32)27-19(2)21-8-5-4-6-9-21/h4-6,8-9,11-16,19,22H,3,7,10,17-18H2,1-2H3,(H,27,32)
InChIKeyACEIJDPLRNCLAZ-UHFFFAOYSA-N
XLogP3.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 95069334
(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95069461
(3R)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 95069460
(3S)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 95069239
(3S)-N-[(3-bromophenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069275
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
(3S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069267
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95069057
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485
(3S)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95069324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide (CID 53071041) is 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide is CCc1ccc(-n2nc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)ccc2=O)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is ACEIJDPLRNCLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-20-11-13-23(14-12-20)30-25(31)16-15-24(28-30)29-17-7-10-22(18-29)26(32)27-19(2)21-8-5-4-6-9-21/h4-6,8-9,11-16,19,22H,3,7,10,17-18H2,1-2H3,(H,27,32).
What are the key properties of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide?
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53071041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).