4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one

C17H18N4O3 — CID 70717844

IUPAC4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(N)nc3)CC2=O)c1
InChIInChI=1S/C17H18N4O3/c1-24-14-4-2-3-13(9-14)21-8-7-20(11-16(21)22)17(23)12-5-6-15(18)19-10-12/h2-6,9-10H,7-8,11H2,1H3,(H2,18,19)
InChIKeyPMQXAUGGOOGCGV-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.16
Rot. Bonds3

About 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one

4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one (PubChem CID 70717844) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
PubChem CID70717844
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(N)nc3)CC2=O)c1
InChIInChI=1S/C17H18N4O3/c1-24-14-4-2-3-13(9-14)21-8-7-20(11-16(21)22)17(23)12-5-6-15(18)19-10-12/h2-6,9-10H,7-8,11H2,1H3,(H2,18,19)
InChIKeyPMQXAUGGOOGCGV-UHFFFAOYSA-N
XLogP1.16
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
1-(3-methoxyphenyl)-4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-2-one
CID 70788872
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 154885622

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one (CID 70717844) is 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one is COc1cccc(N2CCN(C(=O)c3ccc(N)nc3)CC2=O)c1.
What is the InChIKey of 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one?
The InChIKey is PMQXAUGGOOGCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-14-4-2-3-13(9-14)21-8-7-20(11-16(21)22)17(23)12-5-6-15(18)19-10-12/h2-6,9-10H,7-8,11H2,1H3,(H2,18,19).
What are the key properties of 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one?
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one has a molecular weight of 326.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70717844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).