5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid

C16H19N3O3 — CID 22683858

IUPAC5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19N3O3/c1-12(13-5-6-14(22-13)16(20)21)18-8-10-19(11-9-18)15-4-2-3-7-17-15/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyLEGUVARGWAIKHD-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.26
Rot. Bonds4

About 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid

5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid (PubChem CID 22683858) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
PubChem CID22683858
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19N3O3/c1-12(13-5-6-14(22-13)16(20)21)18-8-10-19(11-9-18)15-4-2-3-7-17-15/h2-7,12H,8-11H2,1H3,(H,20,21)
InChIKeyLEGUVARGWAIKHD-UHFFFAOYSA-N
XLogP2.26
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 20989921
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
CID 103224487
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
2-(4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 9396200
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 48846750
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 8596893
1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8619055
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid (CID 22683858) is 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is LEGUVARGWAIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12(13-5-6-14(22-13)16(20)21)18-8-10-19(11-9-18)15-4-2-3-7-17-15/h2-7,12H,8-11H2,1H3,(H,20,21).
What are the key properties of 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 22683858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).