1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone

C14H18N2O2 — CID 122689327

IUPAC1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2cnccc2C)CC1
InChIInChI=1S/C14H18N2O2/c1-10-3-6-15-9-13(10)14(18)12-4-7-16(8-5-12)11(2)17/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyFBSDFMMDLLBQFI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.83
Rot. Bonds2

About 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone

1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone (PubChem CID 122689327) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
PubChem CID122689327
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2cnccc2C)CC1
InChIInChI=1S/C14H18N2O2/c1-10-3-6-15-9-13(10)14(18)12-4-7-16(8-5-12)11(2)17/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyFBSDFMMDLLBQFI-UHFFFAOYSA-N
XLogP1.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone (CID 122689327) is 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2cnccc2C)CC1.
What is the InChIKey of 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is FBSDFMMDLLBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-6-15-9-13(10)14(18)12-4-7-16(8-5-12)11(2)17/h3,6,9,12H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone?
1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 122689327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).