N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide

C18H25N5O5 — CID 2887867

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
SMILESCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CN3CCOCC3)c2)CC1
InChIInChI=1S/C18H25N5O5/c1-14(24)21-4-6-22(7-5-21)15-2-3-17(23(26)27)16(12-15)19-18(25)13-20-8-10-28-11-9-20/h2-3,12H,4-11,13H2,1H3,(H,19,25)
InChIKeyCVFPIEQCOABCCB-UHFFFAOYSA-N
MW391.43 g/mol
LogP0.53
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide

N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide (PubChem CID 2887867) has the molecular formula C18H25N5O5 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
PubChem CID2887867
Molecular FormulaC18H25N5O5
Molecular Weight391.43 g/mol
Exact Mass391.19
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
SMILESCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CN3CCOCC3)c2)CC1
InChIInChI=1S/C18H25N5O5/c1-14(24)21-4-6-22(7-5-21)15-2-3-17(23(26)27)16(12-15)19-18(25)13-20-8-10-28-11-9-20/h2-3,12H,4-11,13H2,1H3,(H,19,25)
InChIKeyCVFPIEQCOABCCB-UHFFFAOYSA-N
XLogP0.53
TPSA108.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
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

1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
CID 2890856
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 2960367
tert-butyl 4-(3-acetamido-4-nitrophenyl)piperazine-1-carboxylate
CID 166571535
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959731
2-(5-morpholin-4-yl-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168608510
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 29325726
1-[4-(3-fluoro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 21278913
N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
CID 2915968
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide (CID 2887867) is N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide is CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CN3CCOCC3)c2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide?
The InChIKey is CVFPIEQCOABCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O5/c1-14(24)21-4-6-22(7-5-21)15-2-3-17(23(26)27)16(12-15)19-18(25)13-20-8-10-28-11-9-20/h2-3,12H,4-11,13H2,1H3,(H,19,25).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide has a molecular weight of 391.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2887867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).