2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C18H22ClN5O3 — CID 24719436

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(c3ccccc3Cl)CC2)[nH]c1=O
InChIInChI=1S/C18H22ClN5O3/c1-27-11-6-20-16(25)13-12-21-18(22-17(13)26)24-9-7-23(8-10-24)15-5-3-2-4-14(15)19/h2-5,12H,6-11H2,1H3,(H,20,25)(H,21,22,26)
InChIKeyHXUVNZQBMNEWCY-UHFFFAOYSA-N
MW391.86 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 24719436) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID24719436
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(c3ccccc3Cl)CC2)[nH]c1=O
InChIInChI=1S/C18H22ClN5O3/c1-27-11-6-20-16(25)13-12-21-18(22-17(13)26)24-9-7-23(8-10-24)15-5-3-2-4-14(15)19/h2-5,12H,6-11H2,1H3,(H,20,25)(H,21,22,26)
InChIKeyHXUVNZQBMNEWCY-UHFFFAOYSA-N
XLogP1.13
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide 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

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 42843960
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 42844021
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-2-(4-phenylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843995
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
N-ethyl-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 42843956
4-(2-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8626829
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
tert-butyl 4-[1-(2-chlorophenyl)-4-(2-methoxyethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281345
5-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138511
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 24719436) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is COCCNC(=O)c1cnc(N2CCN(c3ccccc3Cl)CC2)[nH]c1=O.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HXUVNZQBMNEWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-27-11-6-20-16(25)13-12-21-18(22-17(13)26)24-9-7-23(8-10-24)15-5-3-2-4-14(15)19/h2-5,12H,6-11H2,1H3,(H,20,25)(H,21,22,26).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 24719436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).