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

C17H17N3O3 — CID 108534823

IUPAC(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H17N3O3/c21-15-7-2-1-5-13(15)16(22)19-9-11-20(12-10-19)17(23)14-6-3-4-8-18-14/h1-8,21H,9-12H2
InChIKeyJNOIHOLRHWESQY-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.39
Rot. Bonds2

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

(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 108534823) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID108534823
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H17N3O3/c21-15-7-2-1-5-13(15)16(22)19-9-11-20(12-10-19)17(23)14-6-3-4-8-18-14/h1-8,21H,9-12H2
InChIKeyJNOIHOLRHWESQY-UHFFFAOYSA-N
XLogP1.39
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-oxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743476
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814097
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
[4-(hydroxyamino)phenyl]-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 139375717
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011807
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 108534823) is (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccn1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JNOIHOLRHWESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-15-7-2-1-5-13(15)16(22)19-9-11-20(12-10-19)17(23)14-6-3-4-8-18-14/h1-8,21H,9-12H2.
What are the key properties of (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 311.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108534823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).