2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C24H25ClN4O2 — CID 135810910

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H25ClN4O2/c25-22-8-4-2-6-19(22)16-28-11-13-29(14-12-28)17-24(31)27-26-15-21-20-7-3-1-5-18(20)9-10-23(21)30/h1-10,15,30H,11-14,16-17H2,(H,27,31)/b26-15-
InChIKeyAEGJPYLWWNNNHT-YSMPRRRNSA-N
MW436.94 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 135810910) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID135810910
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H25ClN4O2/c25-22-8-4-2-6-19(22)16-28-11-13-29(14-12-28)17-24(31)27-26-15-21-20-7-3-1-5-18(20)9-10-23(21)30/h1-10,15,30H,11-14,16-17H2,(H,27,31)/b26-15-
InChIKeyAEGJPYLWWNNNHT-YSMPRRRNSA-N
XLogP3.47
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 135810910) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is AEGJPYLWWNNNHT-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-22-8-4-2-6-19(22)16-28-11-13-29(14-12-28)17-24(31)27-26-15-21-20-7-3-1-5-18(20)9-10-23(21)30/h1-10,15,30H,11-14,16-17H2,(H,27,31)/b26-15-.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 436.94 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 135810910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).