1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone

C22H26N2O3 — CID 110818889

IUPAC1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C(=O)COc3ccccc3C)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-17-6-5-8-19(14-17)15-21(25)23-10-12-24(13-11-23)22(26)16-27-20-9-4-3-7-18(20)2/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyBPPUPAMQVBECGP-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.60
Rot. Bonds5

About 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 110818889) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID110818889
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C(=O)COc3ccccc3C)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-17-6-5-8-19(14-17)15-21(25)23-10-12-24(13-11-23)22(26)16-27-20-9-4-3-7-18(20)2/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyBPPUPAMQVBECGP-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110818367
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
2-[4-[2-(3-methylphenyl)acetyl]piperazine-1-carbonyl]benzoic acid
CID 113083261
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 110818889) is 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCN(C(=O)COc3ccccc3C)CC2)c1.
What is the InChIKey of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is BPPUPAMQVBECGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-6-5-8-19(14-17)15-21(25)23-10-12-24(13-11-23)22(26)16-27-20-9-4-3-7-18(20)2/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 366.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 110818889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).