1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide

C15H20N2O2 — CID 976400

IUPAC1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H20N2O2/c1-10-7-11(2)9-13(8-10)15(19)17-5-3-12(4-6-17)14(16)18/h7-9,12H,3-6H2,1-2H3,(H2,16,18)
InChIKeyASJDPWRDIYOCJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds2

About 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide

1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide (PubChem CID 976400) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide
PubChem CID976400
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H20N2O2/c1-10-7-11(2)9-13(8-10)15(19)17-5-3-12(4-6-17)14(16)18/h7-9,12H,3-6H2,1-2H3,(H2,16,18)
InChIKeyASJDPWRDIYOCJX-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide (CID 976400) is 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide is Cc1cc(C)cc(C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide?
The InChIKey is ASJDPWRDIYOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-11(2)9-13(8-10)15(19)17-5-3-12(4-6-17)14(16)18/h7-9,12H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide?
1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).