6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid

C14H19N3O3 — CID 83967770

IUPAC6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCCC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H19N3O3/c1-2-3-13(18)17-8-6-16(7-9-17)12-5-4-11(10-15-12)14(19)20/h4-5,10H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyLYYDUVGSZRFZME-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.23
Rot. Bonds4

About 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid

6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 83967770) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID83967770
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESCCCC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H19N3O3/c1-2-3-13(18)17-8-6-16(7-9-17)12-5-4-11(10-15-12)14(19)20/h4-5,10H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyLYYDUVGSZRFZME-UHFFFAOYSA-N
XLogP1.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 167796774
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931

Frequently Asked Questions

What is the IUPAC name of 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 83967770) is 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid is CCCC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is LYYDUVGSZRFZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-3-13(18)17-8-6-16(7-9-17)12-5-4-11(10-15-12)14(19)20/h4-5,10H,2-3,6-9H2,1H3,(H,19,20).
What are the key properties of 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid?
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 83967770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).