N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide

C24H31N3O5 — CID 10238336

IUPACN-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1)NO
InChIInChI=1S/C24H31N3O5/c28-22(25-31)9-3-1-2-4-10-23(29)26-13-15-27(16-14-26)24(30)18-32-21-12-11-19-7-5-6-8-20(19)17-21/h5-8,11-12,17,31H,1-4,9-10,13-16,18H2,(H,25,28)
InChIKeyKSFIMSZMTCGVGC-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.74
Rot. Bonds10

About N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide

N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide (PubChem CID 10238336) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
PubChem CID10238336
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1)NO
InChIInChI=1S/C24H31N3O5/c28-22(25-31)9-3-1-2-4-10-23(29)26-13-15-27(16-14-26)24(30)18-32-21-12-11-19-7-5-6-8-20(19)17-21/h5-8,11-12,17,31H,1-4,9-10,13-16,18H2,(H,25,28)
InChIKeyKSFIMSZMTCGVGC-UHFFFAOYSA-N
XLogP2.74
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.74
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-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381
2-naphthalen-2-yloxy-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95749780
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide (CID 10238336) is N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide is O=C(CCCCCCC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1)NO.
What is the InChIKey of N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide?
The InChIKey is KSFIMSZMTCGVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c28-22(25-31)9-3-1-2-4-10-23(29)26-13-15-27(16-14-26)24(30)18-32-21-12-11-19-7-5-6-8-20(19)17-21/h5-8,11-12,17,31H,1-4,9-10,13-16,18H2,(H,25,28).
What are the key properties of N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide?
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide has a molecular weight of 441.53 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide is sourced from PubChem (CID 10238336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).