8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide

C20H26N4O4 — CID 10287329

IUPAC8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESN#Cc1ccc(C(=O)N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1
InChIInChI=1S/C20H26N4O4/c21-15-16-7-9-17(10-8-16)20(27)24-13-11-23(12-14-24)19(26)6-4-2-1-3-5-18(25)22-28/h7-10,28H,1-6,11-14H2,(H,22,25)
InChIKeyAWWHJMNDNYIDNT-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.69
Rot. Bonds8

About 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide

8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide (PubChem CID 10287329) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
PubChem CID10287329
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESN#Cc1ccc(C(=O)N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1
InChIInChI=1S/C20H26N4O4/c21-15-16-7-9-17(10-8-16)20(27)24-13-11-23(12-14-24)19(26)6-4-2-1-3-5-18(25)22-28/h7-10,28H,1-6,11-14H2,(H,22,25)
InChIKeyAWWHJMNDNYIDNT-UHFFFAOYSA-N
XLogP1.69
TPSA113.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 32772147
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 21025530
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
CID 10215842
4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
CID 119309548
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
N-(4-cyanophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanamide
CID 7333617
4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
CID 83927436

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide (CID 10287329) is 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide is N#Cc1ccc(C(=O)N2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1.
What is the InChIKey of 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The InChIKey is AWWHJMNDNYIDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c21-15-16-7-9-17(10-8-16)20(27)24-13-11-23(12-14-24)19(26)6-4-2-1-3-5-18(25)22-28/h7-10,28H,1-6,11-14H2,(H,22,25).
What are the key properties of 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide has a molecular weight of 386.45 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 10287329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).