3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one

C15H22N2O2 — CID 60634826

IUPAC3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(OCCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-3-5-14(6-4-13)19-12-7-15(18)17-10-8-16(2)9-11-17/h3-6H,7-12H2,1-2H3
InChIKeyQNBLFXVNRYLBNS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.54
Rot. Bonds4

About 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one

3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 60634826) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID60634826
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(OCCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-3-5-14(6-4-13)19-12-7-15(18)17-10-8-16(2)9-11-17/h3-6H,7-12H2,1-2H3
InChIKeyQNBLFXVNRYLBNS-UHFFFAOYSA-N
XLogP1.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 9205006
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 167918207
5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 142712233
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 8924595
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
3-(4-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 8922275
2-[1-[3-(4-methylphenoxy)propanoyl]azetidin-3-yl]acetic acid
CID 64603524

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 60634826) is 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one is Cc1ccc(OCCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is QNBLFXVNRYLBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-3-5-14(6-4-13)19-12-7-15(18)17-10-8-16(2)9-11-17/h3-6H,7-12H2,1-2H3.
What are the key properties of 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 60634826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).