2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid

C15H20N2O4 — CID 79610114

IUPAC2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
SMILESCCOC(=O)c1ccc(N2CCC(CC(=O)O)CC2)nc1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)12-3-4-13(16-10-12)17-7-5-11(6-8-17)9-14(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,18,19)
InChIKeyXMALJKRUSBBKEZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.95
Rot. Bonds5

About 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid

2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid (PubChem CID 79610114) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
PubChem CID79610114
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
SMILESCCOC(=O)c1ccc(N2CCC(CC(=O)O)CC2)nc1
InChIInChI=1S/C15H20N2O4/c1-2-21-15(20)12-3-4-13(16-10-12)17-7-5-11(6-8-17)9-14(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,18,19)
InChIKeyXMALJKRUSBBKEZ-UHFFFAOYSA-N
XLogP1.95
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
CID 133277944
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
CID 59785799
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
ethyl 6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylate
CID 43599506
ethyl 6-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-3-carboxylate
CID 133390714
2-(5-ethoxycarbonyl-2-pyridinyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 67353760

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid (CID 79610114) is 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid is CCOC(=O)c1ccc(N2CCC(CC(=O)O)CC2)nc1.
What is the InChIKey of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid?
The InChIKey is XMALJKRUSBBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-21-15(20)12-3-4-13(16-10-12)17-7-5-11(6-8-17)9-14(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid?
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79610114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).