6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid

C20H21N3O5 — CID 119182748

IUPAC6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)c3cccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C20H21N3O5/c1-28-15-5-2-4-14(12-15)13-18(24)22-8-10-23(11-9-22)19(25)16-6-3-7-17(21-16)20(26)27/h2-7,12H,8-11,13H2,1H3,(H,26,27)
InChIKeyKZGCXMLFJWUVCK-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.32
Rot. Bonds5

About 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid

6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119182748) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119182748
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)c3cccc(C(=O)O)n3)CC2)c1
InChIInChI=1S/C20H21N3O5/c1-28-15-5-2-4-14(12-15)13-18(24)22-8-10-23(11-9-22)19(25)16-6-3-7-17(21-16)20(26)27/h2-7,12H,8-11,13H2,1H3,(H,26,27)
InChIKeyKZGCXMLFJWUVCK-UHFFFAOYSA-N
XLogP1.32
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
6-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119182737
1-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119754929
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868551
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 32531628
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid (CID 119182748) is 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid is COc1cccc(CC(=O)N2CCN(C(=O)c3cccc(C(=O)O)n3)CC2)c1.
What is the InChIKey of 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is KZGCXMLFJWUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-28-15-5-2-4-14(12-15)13-18(24)22-8-10-23(11-9-22)19(25)16-6-3-7-17(21-16)20(26)27/h2-7,12H,8-11,13H2,1H3,(H,26,27).
What are the key properties of 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid?
6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 383.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).