3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide

C16H24N4O5 — CID 1340675

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)CC1
InChIInChI=1S/C16H24N4O5/c1-25-15-3-2-13(20(23)24)12-14(15)17-16(22)4-5-18-6-8-19(9-7-18)10-11-21/h2-3,12,21H,4-11H2,1H3,(H,17,22)
InChIKeyGADOVFQRPJMFDG-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.54
Rot. Bonds8

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 1340675) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID1340675
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)CC1
InChIInChI=1S/C16H24N4O5/c1-25-15-3-2-13(20(23)24)12-14(15)17-16(22)4-5-18-6-8-19(9-7-18)10-11-21/h2-3,12,21H,4-11H2,1H3,(H,17,22)
InChIKeyGADOVFQRPJMFDG-UHFFFAOYSA-N
XLogP0.54
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3'-Nitro-p-acetophenetidide
CID 15685
5'-Nitro-2'-propoxyacetanilide
CID 68377
4'-Methoxy-3'-nitroacetanilide
CID 95043
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(2-methoxyphenyl)-3-(4-methylpiperazinyl)propanamide
CID 847303
[2-(2-Methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 2913143
2-methoxy-5-nitro-N-(propan-2-yl)aniline
CID 792679
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 1340159
N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 2901726
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2946222
N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 3241082

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide (CID 1340675) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is GADOVFQRPJMFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-25-15-3-2-13(20(23)24)12-14(15)17-16(22)4-5-18-6-8-19(9-7-18)10-11-21/h2-3,12,21H,4-11H2,1H3,(H,17,22).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 1340675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).