6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid

C19H21N3O5 — CID 83971609

IUPAC6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C19H21N3O5/c1-26-15-9-14(10-16(11-15)27-2)18(23)22-7-5-21(6-8-22)17-4-3-13(12-20-17)19(24)25/h3-4,9-12H,5-8H2,1-2H3,(H,24,25)
InChIKeyADJYEOKLJURHHS-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.76
Rot. Bonds5

About 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 83971609) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID83971609
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C19H21N3O5/c1-26-15-9-14(10-16(11-15)27-2)18(23)22-7-5-21(6-8-22)17-4-3-13(12-20-17)19(24)25/h3-4,9-12H,5-8H2,1-2H3,(H,24,25)
InChIKeyADJYEOKLJURHHS-UHFFFAOYSA-N
XLogP1.76
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 7292437
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
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136551075
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448
[3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 126778912
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
(3,5-dimethoxyphenyl)-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]methanone
CID 110645846
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 83971609) is 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid is COc1cc(OC)cc(C(=O)N2CCN(c3ccc(C(=O)O)cn3)CC2)c1.
What is the InChIKey of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is ADJYEOKLJURHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-15-9-14(10-16(11-15)27-2)18(23)22-7-5-21(6-8-22)17-4-3-13(12-20-17)19(24)25/h3-4,9-12H,5-8H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83971609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).