N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C20H24N4O4 — CID 1340159

IUPACN-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O4/c1-28-19-8-7-17(24(26)27)15-18(19)21-20(25)9-10-22-11-13-23(14-12-22)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,25)
InChIKeyFDQSRUXKHKOTHX-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.75
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 1340159) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID1340159
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O4/c1-28-19-8-7-17(24(26)27)15-18(19)21-20(25)9-10-22-11-13-23(14-12-22)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,25)
InChIKeyFDQSRUXKHKOTHX-UHFFFAOYSA-N
XLogP2.75
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
4'-Methoxy-3'-nitroacetanilide
CID 95043
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(2-methoxyphenyl)-3-(4-methylpiperazinyl)propanamide
CID 847303
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469
N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 2913143
3-[(4-Methoxyphenyl)amino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 2972083
N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 631854
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
2-methoxy-5-nitro-N-(propan-2-yl)aniline
CID 792679

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 1340159) is N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is FDQSRUXKHKOTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-28-19-8-7-17(24(26)27)15-18(19)21-20(25)9-10-22-11-13-23(14-12-22)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,21,25).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 1340159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).