[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

C17H18N4O3 — CID 139375717

IUPAC[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NO)cc1)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C17H18N4O3/c22-16(13-4-6-14(19-24)7-5-13)20-9-11-21(12-10-20)17(23)15-3-1-2-8-18-15/h1-8,19,24H,9-12H2
InChIKeyGIANZOMZYUTTFU-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.48
Rot. Bonds3

About [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 139375717) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID139375717
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NO)cc1)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C17H18N4O3/c22-16(13-4-6-14(19-24)7-5-13)20-9-11-21(12-10-20)17(23)15-3-1-2-8-18-15/h1-8,19,24H,9-12H2
InChIKeyGIANZOMZYUTTFU-UHFFFAOYSA-N
XLogP1.48
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 38786072
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
ethyl [4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533354
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 46492519

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 139375717) is [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(NO)cc1)N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GIANZOMZYUTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(13-4-6-14(19-24)7-5-13)20-9-11-21(12-10-20)17(23)15-3-1-2-8-18-15/h1-8,19,24H,9-12H2.
What are the key properties of [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 139375717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).