8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide

C22H36N4O3 — CID 10216223

IUPAC8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESCN(C)c1ccc(CCN2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1
InChIInChI=1S/C22H36N4O3/c1-24(2)20-11-9-19(10-12-20)13-14-25-15-17-26(18-16-25)22(28)8-6-4-3-5-7-21(27)23-29/h9-12,29H,3-8,13-18H2,1-2H3,(H,23,27)
InChIKeyNHOAHXYNKPBSSD-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.29
Rot. Bonds11

About 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide

8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide (PubChem CID 10216223) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
PubChem CID10216223
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESCN(C)c1ccc(CCN2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1
InChIInChI=1S/C22H36N4O3/c1-24(2)20-11-9-19(10-12-20)13-14-25-15-17-26(18-16-25)22(28)8-6-4-3-5-7-21(27)23-29/h9-12,29H,3-8,13-18H2,1-2H3,(H,23,27)
InChIKeyNHOAHXYNKPBSSD-UHFFFAOYSA-N
XLogP2.29
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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

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CID 110290585
8-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]-8-oxo-N-phenylmethoxyoctanamide
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3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43416045
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
tert-butyl N-[6-oxo-6-[4-(2-phenylethyl)piperazin-1-yl]hexyl]carbamate
CID 143444355
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666244
[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid
CID 68707772
3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 79410179
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide (CID 10216223) is 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide is CN(C)c1ccc(CCN2CCN(C(=O)CCCCCCC(=O)NO)CC2)cc1.
What is the InChIKey of 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The InChIKey is NHOAHXYNKPBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-24(2)20-11-9-19(10-12-20)13-14-25-15-17-26(18-16-25)22(28)8-6-4-3-5-7-21(27)23-29/h9-12,29H,3-8,13-18H2,1-2H3,(H,23,27).
What are the key properties of 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide has a molecular weight of 404.56 g/mol, XLogP of 2.29, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-[4-(dimethylamino)phenyl]ethyl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 10216223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).