1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide

C17H22N2O3 — CID 2418958

IUPAC1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-2-4-13(5-3-12)15(20)6-7-16(21)19-10-8-14(9-11-19)17(18)22/h2-5,14H,6-11H2,1H3,(H2,18,22)
InChIKeyHLJGWRPGPRAIPL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.68
Rot. Bonds5

About 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide

1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide (PubChem CID 2418958) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide
PubChem CID2418958
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-2-4-13(5-3-12)15(20)6-7-16(21)19-10-8-14(9-11-19)17(18)22/h2-5,14H,6-11H2,1H3,(H2,18,22)
InChIKeyHLJGWRPGPRAIPL-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide (CID 2418958) is 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide is Cc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The InChIKey is HLJGWRPGPRAIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-2-4-13(5-3-12)15(20)6-7-16(21)19-10-8-14(9-11-19)17(18)22/h2-5,14H,6-11H2,1H3,(H2,18,22).
What are the key properties of 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).