1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide

C26H27N3O3 — CID 60541262

IUPAC1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O3/c1-19-8-7-9-21(18-19)27-26(31)29-16-14-20(15-17-29)25(30)28-23-12-5-6-13-24(23)32-22-10-3-2-4-11-22/h2-13,18,20H,14-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyPQZJBLVQQSLYRV-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.67
Rot. Bonds5

About 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide

1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide (PubChem CID 60541262) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
PubChem CID60541262
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C26H27N3O3/c1-19-8-7-9-21(18-19)27-26(31)29-16-14-20(15-17-29)25(30)28-23-12-5-6-13-24(23)32-22-10-3-2-4-11-22/h2-13,18,20H,14-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyPQZJBLVQQSLYRV-UHFFFAOYSA-N
XLogP5.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 97007159
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide (CID 60541262) is 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide is Cc1cccc(NC(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is PQZJBLVQQSLYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-8-7-9-21(18-19)27-26(31)29-16-14-20(15-17-29)25(30)28-23-12-5-6-13-24(23)32-22-10-3-2-4-11-22/h2-13,18,20H,14-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide?
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 60541262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).