4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C17H25N3O2 — CID 56923353

IUPAC4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-12-9-13(2)11-15(10-12)18-16(21)14-5-7-20(8-6-14)17(22)19(3)4/h9-11,14H,5-8H2,1-4H3,(H,18,21)
InChIKeySLZZJCHVUUZTIR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.64
Rot. Bonds2

About 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 56923353) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID56923353
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-12-9-13(2)11-15(10-12)18-16(21)14-5-7-20(8-6-14)17(22)19(3)4/h9-11,14H,5-8H2,1-4H3,(H,18,21)
InChIKeySLZZJCHVUUZTIR-UHFFFAOYSA-N
XLogP2.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646908
4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 94858106
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
1-N,1-N-dimethyl-4-N-(4-methyl-2-oxo-1H-quinolin-6-yl)piperidine-1,4-dicarboxamide
CID 166252924
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 56923353) is 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is Cc1cc(C)cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is SLZZJCHVUUZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-9-13(2)11-15(10-12)18-16(21)14-5-7-20(8-6-14)17(22)19(3)4/h9-11,14H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 56923353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).