1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

C16H22N2O2 — CID 2738210

IUPAC1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H22N2O2/c1-11-8-12(2)10-15(9-11)17-16(20)14-4-6-18(7-5-14)13(3)19/h8-10,14H,4-7H2,1-3H3,(H,17,20)
InChIKeyJQHUBONEVIYRMU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds2

About 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 2738210) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
PubChem CID2738210
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H22N2O2/c1-11-8-12(2)10-15(9-11)17-16(20)14-4-6-18(7-5-14)13(3)19/h8-10,14H,4-7H2,1-3H3,(H,17,20)
InChIKeyJQHUBONEVIYRMU-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide (CID 2738210) is 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is JQHUBONEVIYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-8-12(2)10-15(9-11)17-16(20)14-4-6-18(7-5-14)13(3)19/h8-10,14H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2738210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).