N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide

C14H18ClN3O2 — CID 2397165

IUPACN-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCN(C=O)CC2)c1
InChIInChI=1S/C14H18ClN3O2/c1-11-2-3-12(15)13(8-11)16-14(20)9-17-4-6-18(10-19)7-5-17/h2-3,8,10H,4-7,9H2,1H3,(H,16,20)
InChIKeyDRLFBXZRIJGPSP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.36
Rot. Bonds4

About N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide

N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide (PubChem CID 2397165) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
PubChem CID2397165
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCN(C=O)CC2)c1
InChIInChI=1S/C14H18ClN3O2/c1-11-2-3-12(15)13(8-11)16-14(20)9-17-4-6-18(10-19)7-5-17/h2-3,8,10H,4-7,9H2,1H3,(H,16,20)
InChIKeyDRLFBXZRIJGPSP-UHFFFAOYSA-N
XLogP1.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide (CID 2397165) is N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCN(C=O)CC2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The InChIKey is DRLFBXZRIJGPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-11-2-3-12(15)13(8-11)16-14(20)9-17-4-6-18(10-19)7-5-17/h2-3,8,10H,4-7,9H2,1H3,(H,16,20).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide has a molecular weight of 295.77 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-(4-formylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2397165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).