2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid

C16H15N3O5 — CID 53270741

IUPAC2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H15N3O5/c20-14(12-4-2-10-24-12)18-6-8-19(9-7-18)15(21)13-11(16(22)23)3-1-5-17-13/h1-5,10H,6-9H2,(H,22,23)
InChIKeySRRSUVZMQMNFLD-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.97
Rot. Bonds3

About 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 53270741) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID53270741
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H15N3O5/c20-14(12-4-2-10-24-12)18-6-8-19(9-7-18)15(21)13-11(16(22)23)3-1-5-17-13/h1-5,10H,6-9H2,(H,22,23)
InChIKeySRRSUVZMQMNFLD-UHFFFAOYSA-N
XLogP0.97
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 16676781
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 102743092
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid (CID 53270741) is 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is SRRSUVZMQMNFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-14(12-4-2-10-24-12)18-6-8-19(9-7-18)15(21)13-11(16(22)23)3-1-5-17-13/h1-5,10H,6-9H2,(H,22,23).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid?
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 329.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).