6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid

C18H19N3O3 — CID 83971599

IUPAC6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C(=O)O)cn3)CC2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-2-4-14(5-3-13)17(22)21-10-8-20(9-11-21)16-7-6-15(12-19-16)18(23)24/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyCCGSFNZBOICQSQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.05
Rot. Bonds3

About 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 83971599) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID83971599
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C(=O)O)cn3)CC2)cc1
InChIInChI=1S/C18H19N3O3/c1-13-2-4-14(5-3-13)17(22)21-10-8-20(9-11-21)16-7-6-15(12-19-16)18(23)24/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyCCGSFNZBOICQSQ-UHFFFAOYSA-N
XLogP2.05
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605
6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 166359477
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
6-[4-(5-bromo-3-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 167765714
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 83971599) is 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)N2CCN(c3ccc(C(=O)O)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CCGSFNZBOICQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-2-4-14(5-3-13)17(22)21-10-8-20(9-11-21)16-7-6-15(12-19-16)18(23)24/h2-7,12H,8-11H2,1H3,(H,23,24).
What are the key properties of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83971599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).