2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone

C15H26N2O — CID 79658810

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(C(=O)CC2CC3CCC2C3)C1
InChIInChI=1S/C15H26N2O/c1-16-5-6-17(2)14(10-16)15(18)9-13-8-11-3-4-12(13)7-11/h11-14H,3-10H2,1-2H3
InChIKeyLTRKEUDTMIVGTO-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.63
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 79658810) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID79658810
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(C(=O)CC2CC3CCC2C3)C1
InChIInChI=1S/C15H26N2O/c1-16-5-6-17(2)14(10-16)15(18)9-13-8-11-3-4-12(13)7-11/h11-14H,3-10H2,1-2H3
InChIKeyLTRKEUDTMIVGTO-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414604
1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
CID 79659387
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
CID 79659640
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone (CID 79658810) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(C(=O)CC2CC3CCC2C3)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is LTRKEUDTMIVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-5-6-17(2)14(10-16)15(18)9-13-8-11-3-4-12(13)7-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 250.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 79658810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).