1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

C14H22N2O2 — CID 615947

IUPAC1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(C2CCCCN2C(C)=O)CCC1
InChIInChI=1S/C14H22N2O2/c1-11(17)15-8-5-6-13(10-15)14-7-3-4-9-16(14)12(2)18/h10,14H,3-9H2,1-2H3
InChIKeyAITYIJXYFMGTNF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.91
Rot. Bonds1

About 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 615947) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID615947
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(C2CCCCN2C(C)=O)CCC1
InChIInChI=1S/C14H22N2O2/c1-11(17)15-8-5-6-13(10-15)14-7-3-4-9-16(14)12(2)18/h10,14H,3-9H2,1-2H3
InChIKeyAITYIJXYFMGTNF-UHFFFAOYSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 615947) is 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1C=C(C2CCCCN2C(C)=O)CCC1.
What is the InChIKey of 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is AITYIJXYFMGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)15-8-5-6-13(10-15)14-7-3-4-9-16(14)12(2)18/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-acetylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 615947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).