1-(3-methylbenzoyl)piperidine-4-carboxamide

C14H18N2O2 — CID 772233

IUPAC1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)
InChIKeyVSYPROQBASLXDK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.33
Rot. Bonds2

About 1-(3-methylbenzoyl)piperidine-4-carboxamide

1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 772233) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID772233
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)
InChIKeyVSYPROQBASLXDK-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 772233) is 1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbenzoyl)piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is VSYPROQBASLXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17).
What are the key properties of 1-(3-methylbenzoyl)piperidine-4-carboxamide?
1-(3-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 772233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).