4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

C25H33N3O2 — CID 86939980

IUPAC4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)NC(c3ccccc3C)C(C)C)CC2)c1
InChIInChI=1S/C25H33N3O2/c1-17(2)23(22-11-6-5-9-19(22)4)27-24(29)20-12-14-28(15-13-20)25(30)26-21-10-7-8-18(3)16-21/h5-11,16-17,20,23H,12-15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyHKXVWZOAOBUFSM-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.06
Rot. Bonds5

About 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 86939980) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID86939980
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)NC(c3ccccc3C)C(C)C)CC2)c1
InChIInChI=1S/C25H33N3O2/c1-17(2)23(22-11-6-5-9-19(22)4)27-24(29)20-12-14-28(15-13-20)25(30)26-21-10-7-8-18(3)16-21/h5-11,16-17,20,23H,12-15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyHKXVWZOAOBUFSM-UHFFFAOYSA-N
XLogP5.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
1-[[2-methyl-1-(2-methylphenyl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122001887
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
4-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26753074
1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 86939529

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide (CID 86939980) is 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is Cc1cccc(NC(=O)N2CCC(C(=O)NC(c3ccccc3C)C(C)C)CC2)c1.
What is the InChIKey of 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is HKXVWZOAOBUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17(2)23(22-11-6-5-9-19(22)4)27-24(29)20-12-14-28(15-13-20)25(30)26-21-10-7-8-18(3)16-21/h5-11,16-17,20,23H,12-15H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide?
4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 407.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86939980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).