2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid

C14H17N3O3 — CID 94283741

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H17N3O3/c18-13(10-3-4-10)17-8-6-16(7-9-17)12-11(14(19)20)2-1-5-15-12/h1-2,5,10H,3-4,6-9H2,(H,19,20)
InChIKeyFVJLOUYGTZRHFR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 94283741) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID94283741
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H17N3O3/c18-13(10-3-4-10)17-8-6-16(7-9-17)12-11(14(19)20)2-1-5-15-12/h1-2,5,10H,3-4,6-9H2,(H,19,20)
InChIKeyFVJLOUYGTZRHFR-UHFFFAOYSA-N
XLogP0.84
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397204
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 94283741) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is FVJLOUYGTZRHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(10-3-4-10)17-8-6-16(7-9-17)12-11(14(19)20)2-1-5-15-12/h1-2,5,10H,3-4,6-9H2,(H,19,20).
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 94283741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).