N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide

C14H19N3O3 — CID 39284489

IUPACN-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCNCC1)Nc1ccccc1O
InChIInChI=1S/C14H19N3O3/c18-12-4-2-1-3-11(12)16-13(19)5-6-14(20)17-9-7-15-8-10-17/h1-4,15,18H,5-10H2,(H,16,19)
InChIKeyGYSZZRVZTPJXTA-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.54
Rot. Bonds4

About N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide

N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide (PubChem CID 39284489) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
PubChem CID39284489
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCNCC1)Nc1ccccc1O
InChIInChI=1S/C14H19N3O3/c18-12-4-2-1-3-11(12)16-13(19)5-6-14(20)17-9-7-15-8-10-17/h1-4,15,18H,5-10H2,(H,16,19)
InChIKeyGYSZZRVZTPJXTA-UHFFFAOYSA-N
XLogP0.54
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
CID 82510539
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
4-(2-hydroxyanilino)-4-oxobutanoate
CID 3615801
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide
CID 154866210
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-(2-hydroxyphenyl)-2-iodoacetamide
CID 66791865

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide (CID 39284489) is N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide is O=C(CCC(=O)N1CCNCC1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide?
The InChIKey is GYSZZRVZTPJXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-4-2-1-3-11(12)16-13(19)5-6-14(20)17-9-7-15-8-10-17/h1-4,15,18H,5-10H2,(H,16,19).
What are the key properties of N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide?
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide has a molecular weight of 277.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 39284489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).