2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone

C18H32N2O3 — CID 126835541

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone
SMILESCOCCOCCN1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C18H32N2O3/c1-22-10-11-23-9-8-19-4-6-20(7-5-19)18(21)14-17-13-15-2-3-16(17)12-15/h15-17H,2-14H2,1H3
InChIKeyZCXPALNBANHYIM-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.62
Rot. Bonds8

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone (PubChem CID 126835541) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone
PubChem CID126835541
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone
SMILESCOCCOCCN1CCN(C(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C18H32N2O3/c1-22-10-11-23-9-8-19-4-6-20(7-5-19)18(21)14-17-13-15-2-3-16(17)12-15/h15-17H,2-14H2,1H3
InChIKeyZCXPALNBANHYIM-UHFFFAOYSA-N
XLogP1.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395212
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 71932197
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 47024305
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 8012085
1-[4-(2-aminoethoxy)piperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 82701794
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 51144911
2-[4-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide
CID 98684839
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 113344037

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone (CID 126835541) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone is COCCOCCN1CCN(C(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone?
The InChIKey is ZCXPALNBANHYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-22-10-11-23-9-8-19-4-6-20(7-5-19)18(21)14-17-13-15-2-3-16(17)12-15/h15-17H,2-14H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126835541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).