N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C17H18ClN5O3 — CID 108501278

IUPACN-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1Cl
InChIInChI=1S/C17H18ClN5O3/c1-26-14-4-3-12(11-13(14)18)21-15(24)16(25)22-7-9-23(10-8-22)17-19-5-2-6-20-17/h2-6,11H,7-10H2,1H3,(H,21,24)
InChIKeySGCGFEPDJCKYIG-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.43
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108501278) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID108501278
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1Cl
InChIInChI=1S/C17H18ClN5O3/c1-26-14-4-3-12(11-13(14)18)21-15(24)16(25)22-7-9-23(10-8-22)17-19-5-2-6-20-17/h2-6,11H,7-10H2,1H3,(H,21,24)
InChIKeySGCGFEPDJCKYIG-UHFFFAOYSA-N
XLogP1.43
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108501193
1-(3-chloro-4-methoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111062155
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108502327
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
ethyl 4-[4-(3-chloro-4-methoxyanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898023
(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110762112
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 108501278) is N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is SGCGFEPDJCKYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-26-14-4-3-12(11-13(14)18)21-15(24)16(25)22-7-9-23(10-8-22)17-19-5-2-6-20-17/h2-6,11H,7-10H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 375.82 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).