1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone

C12H16N4O3 — CID 167885756

IUPAC1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
SMILESNc1cc(C(=O)N2CCN(C(=O)CO)CC2)ccn1
InChIInChI=1S/C12H16N4O3/c13-10-7-9(1-2-14-10)12(19)16-5-3-15(4-6-16)11(18)8-17/h1-2,7,17H,3-6,8H2,(H2,13,14)
InChIKeyMGRARBKDXDUEPD-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.06
Rot. Bonds2

About 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone

1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone (PubChem CID 167885756) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
PubChem CID167885756
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
SMILESNc1cc(C(=O)N2CCN(C(=O)CO)CC2)ccn1
InChIInChI=1S/C12H16N4O3/c13-10-7-9(1-2-14-10)12(19)16-5-3-15(4-6-16)11(18)8-17/h1-2,7,17H,3-6,8H2,(H2,13,14)
InChIKeyMGRARBKDXDUEPD-UHFFFAOYSA-N
XLogP-1.06
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
(2-amino-4-pyridinyl)-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methanone
CID 154852886
(2-amino-4-pyridinyl)-(4-ethyl-4-propylpiperidin-1-yl)methanone
CID 123428768
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576833
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone (CID 167885756) is 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone is Nc1cc(C(=O)N2CCN(C(=O)CO)CC2)ccn1.
What is the InChIKey of 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is MGRARBKDXDUEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-10-7-9(1-2-14-10)12(19)16-5-3-15(4-6-16)11(18)8-17/h1-2,7,17H,3-6,8H2,(H2,13,14).
What are the key properties of 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone?
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 264.28 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 167885756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).