1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide

C26H28N4O3 — CID 86947008

IUPAC1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)Nc4cccc(C)c4)CC3)cc2)nc1
InChIInChI=1S/C26H28N4O3/c1-18-4-3-5-22(16-18)29-26(32)30-14-12-20(13-15-30)25(31)28-21-7-9-23(10-8-21)33-24-11-6-19(2)17-27-24/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyJVZDUDOVDQZILF-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.37
Rot. Bonds5

About 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide

1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide (PubChem CID 86947008) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
PubChem CID86947008
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)Nc4cccc(C)c4)CC3)cc2)nc1
InChIInChI=1S/C26H28N4O3/c1-18-4-3-5-22(16-18)29-26(32)30-14-12-20(13-15-30)25(31)28-21-7-9-23(10-8-21)33-24-11-6-19(2)17-27-24/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyJVZDUDOVDQZILF-UHFFFAOYSA-N
XLogP5.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
1-N-(3-methylphenyl)-4-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 86899493
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide
CID 86974702
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
CID 55878430
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide (CID 86947008) is 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide is Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)Nc4cccc(C)c4)CC3)cc2)nc1.
What is the InChIKey of 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is JVZDUDOVDQZILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18-4-3-5-22(16-18)29-26(32)30-14-12-20(13-15-30)25(31)28-21-7-9-23(10-8-21)33-24-11-6-19(2)17-27-24/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide?
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 444.54 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86947008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).