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

C18H19ClN4O3 — CID 17299501

IUPAC4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN4O3/c19-15-3-1-14(2-4-15)13-21-9-11-22(12-10-21)18(24)20-16-5-7-17(8-6-16)23(25)26/h1-8H,9-13H2,(H,20,24)
InChIKeyVAZOBGJYRAPVDW-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.60
Rot. Bonds4

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

4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 17299501) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID17299501
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN4O3/c19-15-3-1-14(2-4-15)13-21-9-11-22(12-10-21)18(24)20-16-5-7-17(8-6-16)23(25)26/h1-8H,9-13H2,(H,20,24)
InChIKeyVAZOBGJYRAPVDW-UHFFFAOYSA-N
XLogP3.60
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chlorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 43065648
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(4-nitroanilino)butan-1-one
CID 31370271
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone
CID 26756582
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)-1,4-diazepane-1-carboxamide
CID 24650997
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide (CID 17299501) is 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is VAZOBGJYRAPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-15-3-1-14(2-4-15)13-21-9-11-22(12-10-21)18(24)20-16-5-7-17(8-6-16)23(25)26/h1-8H,9-13H2,(H,20,24).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17299501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).