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

C18H26N4O5 — CID 10215842

IUPACN-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NO
InChIInChI=1S/C18H26N4O5/c23-17(19-25)5-3-1-2-4-6-18(24)21-13-11-20(12-14-21)15-7-9-16(10-8-15)22(26)27/h7-10,25H,1-6,11-14H2,(H,19,23)
InChIKeyHFVZTMQQAGRPBO-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.09
Rot. Bonds9

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

N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide (PubChem CID 10215842) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
PubChem CID10215842
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC NameN-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NO
InChIInChI=1S/C18H26N4O5/c23-17(19-25)5-3-1-2-4-6-18(24)21-13-11-20(12-14-21)15-7-9-16(10-8-15)22(26)27/h7-10,25H,1-6,11-14H2,(H,19,23)
InChIKeyHFVZTMQQAGRPBO-UHFFFAOYSA-N
XLogP2.09
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-nitrophenyl)piperazin-1-yl]undecan-1-one
CID 4640074
4-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 79203278
1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 5197218
1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-(4-nitrophenyl)urea
CID 5023525
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]sulfanylpropan-1-one
CID 4166020
1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one
CID 51210880
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 10126038
2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]propanedioic acid
CID 68508509
N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
CID 162697665
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 31886454
(E)-3-(4-bromophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 5342193

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide (CID 10215842) is N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide is O=C(CCCCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NO.
What is the InChIKey of N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide?
The InChIKey is HFVZTMQQAGRPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c23-17(19-25)5-3-1-2-4-6-18(24)21-13-11-20(12-14-21)15-7-9-16(10-8-15)22(26)27/h7-10,25H,1-6,11-14H2,(H,19,23).
What are the key properties of N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide?
N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide has a molecular weight of 378.43 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide is sourced from PubChem (CID 10215842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).