3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one

C16H24N2O2 — CID 95479218

IUPAC3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
SMILESCOc1cccc(CC(C)(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(2,15(19)18-9-7-17-8-10-18)12-13-5-4-6-14(11-13)20-3/h4-6,11,17H,7-10,12H2,1-3H3
InChIKeyINIWFFMQKZOQSZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds4

About 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one

3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one (PubChem CID 95479218) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
PubChem CID95479218
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
SMILESCOc1cccc(CC(C)(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(2,15(19)18-9-7-17-8-10-18)12-13-5-4-6-14(11-13)20-3/h4-6,11,17H,7-10,12H2,1-3H3
InChIKeyINIWFFMQKZOQSZ-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
CID 62739211
2-(3-methoxyphenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 119999768
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
tert-butyl (2S)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 80997744
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one (CID 95479218) is 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one is COc1cccc(CC(C)(C)C(=O)N2CCNCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is INIWFFMQKZOQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,15(19)18-9-7-17-8-10-18)12-13-5-4-6-14(11-13)20-3/h4-6,11,17H,7-10,12H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one?
3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 95479218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).