4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide

C20H24N4O4 — CID 27165112

IUPAC4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1
InChIInChI=1S/C20H24N4O4/c1-2-28-19-8-6-16(7-9-19)15-22-10-12-23(13-11-22)20(25)21-17-4-3-5-18(14-17)24(26)27/h3-9,14H,2,10-13,15H2,1H3,(H,21,25)
InChIKeyKAFAZTIIFMGRAH-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.34
Rot. Bonds6

About 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide

4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide (PubChem CID 27165112) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
PubChem CID27165112
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1
InChIInChI=1S/C20H24N4O4/c1-2-28-19-8-6-16(7-9-19)15-22-10-12-23(13-11-22)20(25)21-17-4-3-5-18(14-17)24(26)27/h3-9,14H,2,10-13,15H2,1H3,(H,21,25)
InChIKeyKAFAZTIIFMGRAH-UHFFFAOYSA-N
XLogP3.34
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
4-[(2-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 24626867
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 17299501
4-[(2R)-1-methoxypropan-2-yl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 95154450
1-[(4-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 17367131
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
1-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 971988
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2957728
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 16608517
1-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]-3-(3-nitrophenyl)urea
CID 47092617

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide (CID 27165112) is 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide is CCOc1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is KAFAZTIIFMGRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-28-19-8-6-16(7-9-19)15-22-10-12-23(13-11-22)20(25)21-17-4-3-5-18(14-17)24(26)27/h3-9,14H,2,10-13,15H2,1H3,(H,21,25).
What are the key properties of 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide?
4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 27165112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).