4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid

C22H24N2O6 — CID 4740273

IUPAC4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
SMILESCOc1ccccc1OCCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C22H24N2O6/c1-29-18-4-2-3-5-19(18)30-15-10-20(25)23-11-13-24(14-12-23)21(26)16-6-8-17(9-7-16)22(27)28/h2-9H,10-15H2,1H3,(H,27,28)
InChIKeyQIFOINXMMWDLHR-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.15
Rot. Bonds7

About 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid

4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid (PubChem CID 4740273) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
PubChem CID4740273
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
SMILESCOc1ccccc1OCCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C22H24N2O6/c1-29-18-4-2-3-5-19(18)30-15-10-20(25)23-11-13-24(14-12-23)21(26)16-6-8-17(9-7-16)22(27)28/h2-9H,10-15H2,1H3,(H,27,28)
InChIKeyQIFOINXMMWDLHR-UHFFFAOYSA-N
XLogP2.15
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid 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

4-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4739974
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 108934973
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid (CID 4740273) is 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid is COc1ccccc1OCCC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid?
The InChIKey is QIFOINXMMWDLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-29-18-4-2-3-5-19(18)30-15-10-20(25)23-11-13-24(14-12-23)21(26)16-6-8-17(9-7-16)22(27)28/h2-9H,10-15H2,1H3,(H,27,28).
What are the key properties of 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid?
4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid has a molecular weight of 412.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 4740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).