1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one

C15H22N2O2 — CID 110398874

IUPAC1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-15(18)17-10-8-16(9-11-17)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKeyRYOYPTGHHGIKMM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.75
Rot. Bonds4

About 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one

1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 110398874) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID110398874
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-15(18)17-10-8-16(9-11-17)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3
InChIKeyRYOYPTGHHGIKMM-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
CID 110398877
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
1-ethyl-4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 46493015
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]propan-1-one
CID 28917407
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 20722124
1-[4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 46422165
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43908594
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878289
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one (CID 110398874) is 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is RYOYPTGHHGIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(18)17-10-8-16(9-11-17)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one?
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110398874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).