1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide

C21H25N3O2 — CID 3222755

IUPAC1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-5-3-7-18(13-15)22-20(25)17-9-11-24(12-10-17)21(26)23-19-8-4-6-16(2)14-19/h3-8,13-14,17H,9-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWGQLUUHATXUFKA-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.19
Rot. Bonds3

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

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 3222755) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID3222755
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-5-3-7-18(13-15)22-20(25)17-9-11-24(12-10-17)21(26)23-19-8-4-6-16(2)14-19/h3-8,13-14,17H,9-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWGQLUUHATXUFKA-UHFFFAOYSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
4-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 86958665
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide (CID 3222755) is 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)c1.
What is the InChIKey of 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is WGQLUUHATXUFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-5-3-7-18(13-15)22-20(25)17-9-11-24(12-10-17)21(26)23-19-8-4-6-16(2)14-19/h3-8,13-14,17H,9-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide?
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3222755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).