2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one

C15H22N2O3 — CID 119472935

IUPAC2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCNCC2C)cc1
InChIInChI=1S/C15H22N2O3/c1-11-10-16-8-9-17(11)15(18)12(2)20-14-6-4-13(19-3)5-7-14/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyKPPCARBRIIQLGY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one

2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 119472935) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID119472935
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCNCC2C)cc1
InChIInChI=1S/C15H22N2O3/c1-11-10-16-8-9-17(11)15(18)12(2)20-14-6-4-13(19-3)5-7-14/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyKPPCARBRIIQLGY-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470085
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124570770
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
(2S)-2-(2-bromophenoxy)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 124571324
2-(2-bromophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472199
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
3-(4-methoxyphenyl)-1-(2-methylpiperazin-1-yl)but-2-en-1-one
CID 126766989
(2S,3S)-1-[2-(4-methoxyphenoxy)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115214
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(2-hydroxy-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755155
2-methoxy-1-(2-methyl-1,4-diazepan-1-yl)propan-1-one
CID 130815989

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one (CID 119472935) is 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one is COc1ccc(OC(C)C(=O)N2CCNCC2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is KPPCARBRIIQLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-10-16-8-9-17(11)15(18)12(2)20-14-6-4-13(19-3)5-7-14/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one?
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119472935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).