N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

C14H20N4O3 — CID 36727936

IUPACN-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-15-14(19)11-16-7-9-17(10-8-16)12-3-5-13(6-4-12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19)
InChIKeyBRXYKEJRNACSEW-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.85
Rot. Bonds5

About N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 36727936) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID36727936
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H20N4O3/c1-2-15-14(19)11-16-7-9-17(10-8-16)12-3-5-13(6-4-12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19)
InChIKeyBRXYKEJRNACSEW-UHFFFAOYSA-N
XLogP0.85
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
ethyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 8590983
N-(2-bromophenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 46614305
2-[4-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36888971
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
N-(3,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590859
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3568177
N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 27172798
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930158

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (CID 36727936) is N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is BRXYKEJRNACSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-15-14(19)11-16-7-9-17(10-8-16)12-3-5-13(6-4-12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19).
What are the key properties of N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36727936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).