1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

C24H26N4O2 — CID 121119048

IUPAC1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C24H26N4O2/c1-18-7-12-23(27-26-18)28-15-13-20(14-16-28)24(29)25-21-8-10-22(11-9-21)30-17-19-5-3-2-4-6-19/h2-12,20H,13-17H2,1H3,(H,25,29)
InChIKeyHGMGWTLOXJVCFN-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.22
Rot. Bonds6

About 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (PubChem CID 121119048) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
PubChem CID121119048
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C24H26N4O2/c1-18-7-12-23(27-26-18)28-15-13-20(14-16-28)24(29)25-21-8-10-22(11-9-21)30-17-19-5-3-2-4-6-19/h2-12,20H,13-17H2,1H3,(H,25,29)
InChIKeyHGMGWTLOXJVCFN-UHFFFAOYSA-N
XLogP4.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 41454969
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118974
N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119033

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (CID 121119048) is 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is HGMGWTLOXJVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-18-7-12-23(27-26-18)28-15-13-20(14-16-28)24(29)25-21-8-10-22(11-9-21)30-17-19-5-3-2-4-6-19/h2-12,20H,13-17H2,1H3,(H,25,29).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 121119048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).