[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone

C17H17N3O3 — CID 108533126

IUPAC[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H17N3O3/c21-15-6-2-1-5-14(15)17(23)20-10-8-19(9-11-20)16(22)13-4-3-7-18-12-13/h1-7,12,21H,8-11H2
InChIKeyBHEAADZZRKGBDT-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.39
Rot. Bonds2

About [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 108533126) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID108533126
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C17H17N3O3/c21-15-6-2-1-5-14(15)17(23)20-10-8-19(9-11-20)16(22)13-4-3-7-18-12-13/h1-7,12,21H,8-11H2
InChIKeyBHEAADZZRKGBDT-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

ethane;pyridin-3-yl-[4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperazin-1-yl]methanone
CID 145145747
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
4-[4-(pyridine-3-carbonyl)-1,4-diazepane-1-carbonyl]-2,3-dihydroinden-1-one
CID 135105818
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 108533126) is [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is BHEAADZZRKGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-15-6-2-1-5-14(15)17(23)20-10-8-19(9-11-20)16(22)13-4-3-7-18-12-13/h1-7,12,21H,8-11H2.
What are the key properties of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone 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 [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 108533126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).