2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

C23H34N2O2 — CID 13368200

IUPAC2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)CC2C3CCC(C3)C2(C)C)CC1
InChIInChI=1S/C23H34N2O2/c1-4-27-21-8-6-5-7-20(21)24-11-13-25(14-12-24)22(26)16-19-17-9-10-18(15-17)23(19,2)3/h5-8,17-19H,4,9-16H2,1-3H3
InChIKeyVRCGKZUPEGSANP-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.20
Rot. Bonds5

About 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 13368200) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
PubChem CID13368200
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1N1CCN(C(=O)CC2C3CCC(C3)C2(C)C)CC1
InChIInChI=1S/C23H34N2O2/c1-4-27-21-8-6-5-7-20(21)24-11-13-25(14-12-24)22(26)16-19-17-9-10-18(15-17)23(19,2)3/h5-8,17-19H,4,9-16H2,1-3H3
InChIKeyVRCGKZUPEGSANP-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 9069022
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
(2S)-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 9415539
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119827324
(3aS,7aR)-2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7923175
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
[4-(2-ethoxyphenyl)piperazin-1-yl]-[(3R)-3-methylpiperidin-3-yl]methanone
CID 97454697
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9346325
2,5-dihydro-1H-pyrrol-2-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 154911371
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450
(5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9415287

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone (CID 13368200) is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone is CCOc1ccccc1N1CCN(C(=O)CC2C3CCC(C3)C2(C)C)CC1.
What is the InChIKey of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is VRCGKZUPEGSANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-27-21-8-6-5-7-20(21)24-11-13-25(14-12-24)22(26)16-19-17-9-10-18(15-17)23(19,2)3/h5-8,17-19H,4,9-16H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone?
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 370.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 13368200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).