1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone

C17H26N2O2 — CID 62777985

IUPAC1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C(=O)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-14(2)12-18-8-10-19(11-9-18)13-16(20)15-6-4-5-7-17(15)21-3/h4-7,14H,8-13H2,1-3H3
InChIKeyAIVVCGSKYUKLIJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone

1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 62777985) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID62777985
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C(=O)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-14(2)12-18-8-10-19(11-9-18)13-16(20)15-6-4-5-7-17(15)21-3/h4-7,14H,8-13H2,1-3H3
InChIKeyAIVVCGSKYUKLIJ-UHFFFAOYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-methoxyphenyl)ethanone
CID 4226169
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62933610
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166
1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
CID 62777093

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 62777985) is 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone is COc1ccccc1C(=O)CN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is AIVVCGSKYUKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)12-18-8-10-19(11-9-18)13-16(20)15-6-4-5-7-17(15)21-3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62777985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).