2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide

C19H21ClN4O3 — CID 120770707

IUPAC2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)CN1CCNCC1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21ClN4O3/c1-22(16-5-7-17(8-6-16)24(26)27)19(25)13-23-10-9-21-12-18(23)14-3-2-4-15(20)11-14/h2-8,11,18,21H,9-10,12-13H2,1H3
InChIKeyAGCHFWZTVRHTIZ-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.86
Rot. Bonds5

About 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 120770707) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID120770707
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)CN1CCNCC1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21ClN4O3/c1-22(16-5-7-17(8-6-16)24(26)27)19(25)13-23-10-9-21-12-18(23)14-3-2-4-15(20)11-14/h2-8,11,18,21H,9-10,12-13H2,1H3
InChIKeyAGCHFWZTVRHTIZ-UHFFFAOYSA-N
XLogP2.86
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.86
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

2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120753144
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanone
CID 120802848
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120801969
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
2-[2-[4-(4-nitrophenyl)phenyl]piperazin-1-yl]acetic acid
CID 91207736
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
CID 120770851
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
2-(3-chlorophenyl)-1-[(4-methoxy-3-nitrophenyl)methyl]piperazine
CID 120771010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide (CID 120770707) is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide is CN(C(=O)CN1CCNCC1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is AGCHFWZTVRHTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-22(16-5-7-17(8-6-16)24(26)27)19(25)13-23-10-9-21-12-18(23)14-3-2-4-15(20)11-14/h2-8,11,18,21H,9-10,12-13H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 388.86 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 120770707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).