N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C25H28N4O3 — CID 30866735

IUPACN-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)nn2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-21-8-6-19(7-9-21)23-10-11-24(28-27-23)29-14-12-20(13-15-29)25(30)26-17-18-4-3-5-22(16-18)32-2/h3-11,16,20H,12-15,17H2,1-2H3,(H,26,30)
InChIKeyRPOBINVZGPGAQY-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.69
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866735) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866735
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)nn2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-21-8-6-19(7-9-21)23-10-11-24(28-27-23)29-14-12-20(13-15-29)25(30)26-17-18-4-3-5-22(16-18)32-2/h3-11,16,20H,12-15,17H2,1-2H3,(H,26,30)
InChIKeyRPOBINVZGPGAQY-UHFFFAOYSA-N
XLogP3.69
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866735) is N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is COc1ccc(-c2ccc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)nn2)cc1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is RPOBINVZGPGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-21-8-6-19(7-9-21)23-10-11-24(28-27-23)29-14-12-20(13-15-29)25(30)26-17-18-4-3-5-22(16-18)32-2/h3-11,16,20H,12-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).