4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

C17H25N3O2 — CID 113006099

IUPAC4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-12(2)18-17(22)20-10-8-14(9-11-20)16(21)19-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyLYZQZFQCLVQQLO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.76
Rot. Bonds3

About 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 113006099) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID113006099
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C17H25N3O2/c1-12(2)18-17(22)20-10-8-14(9-11-20)16(21)19-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyLYZQZFQCLVQQLO-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 113006099) is 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is Cc1ccccc1NC(=O)C1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is LYZQZFQCLVQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)18-17(22)20-10-8-14(9-11-20)16(21)19-15-7-5-4-6-13(15)3/h4-7,12,14H,8-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 113006099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).