2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid

C13H18N4O4 — CID 142371904

IUPAC2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESNc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cn1
InChIInChI=1S/C13H18N4O4/c14-11-2-1-10(7-15-11)16-3-5-17(6-4-16)12(18)8-21-9-13(19)20/h1-2,7H,3-6,8-9H2,(H2,14,15)(H,19,20)
InChIKeyBYXFLSYWHIIAST-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.59
Rot. Bonds5

About 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 142371904) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
PubChem CID142371904
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
SMILESNc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cn1
InChIInChI=1S/C13H18N4O4/c14-11-2-1-10(7-15-11)16-3-5-17(6-4-16)12(18)8-21-9-13(19)20/h1-2,7H,3-6,8-9H2,(H2,14,15)(H,19,20)
InChIKeyBYXFLSYWHIIAST-UHFFFAOYSA-N
XLogP-0.59
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115949166
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
6-[4-(6-amino-3-pyridinyl)piperazin-1-yl]hexan-1-ol
CID 107704033
2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone
CID 134406781
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid (CID 142371904) is 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is Nc1ccc(N2CCN(C(=O)COCC(=O)O)CC2)cn1.
What is the InChIKey of 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is BYXFLSYWHIIAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-11-2-1-10(7-15-11)16-3-5-17(6-4-16)12(18)8-21-9-13(19)20/h1-2,7H,3-6,8-9H2,(H2,14,15)(H,19,20).
What are the key properties of 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 294.31 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 142371904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).