2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

C21H31N3O2 — CID 119876167

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C21H31N3O2/c1-26-20-5-3-2-4-17(20)15-23-8-10-24(11-9-23)21(25)14-16-12-18-6-7-19(13-16)22-18/h2-5,16,18-19,22H,6-15H2,1H3
InChIKeyGMUZWOMKUYKLIC-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.26
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 119876167) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID119876167
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C21H31N3O2/c1-26-20-5-3-2-4-17(20)15-23-8-10-24(11-9-23)21(25)14-16-12-18-6-7-19(13-16)22-18/h2-5,16,18-19,22H,6-15H2,1H3
InChIKeyGMUZWOMKUYKLIC-UHFFFAOYSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
2-[(1R,2S)-2-hydroxycyclohexyl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 100678175
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 95299608
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732606
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888920
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119765850
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 119876167) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccccc1CN1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is GMUZWOMKUYKLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-26-20-5-3-2-4-17(20)15-23-8-10-24(11-9-23)21(25)14-16-12-18-6-7-19(13-16)22-18/h2-5,16,18-19,22H,6-15H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119876167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).