1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one

C22H26N2O3 — CID 110818367

IUPAC1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1cccc(CC(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-18-6-5-7-19(16-18)17-22(26)24-13-11-23(12-14-24)21(25)10-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3
InChIKeyDPPSQRUFXQIXPV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.68
Rot. Bonds6

About 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110818367) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID110818367
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1cccc(CC(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-18-6-5-7-19(16-18)17-22(26)24-13-11-23(12-14-24)21(25)10-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3
InChIKeyDPPSQRUFXQIXPV-UHFFFAOYSA-N
XLogP2.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-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-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 9298614
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108569437
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
2-[4-[2-(3-methylphenyl)acetyl]piperazine-1-carbonyl]benzoic acid
CID 113083261
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818889

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one (CID 110818367) is 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one is Cc1cccc(CC(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is DPPSQRUFXQIXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-18-6-5-7-19(16-18)17-22(26)24-13-11-23(12-14-24)21(25)10-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 366.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110818367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).