2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

C23H25ClN6O3 — CID 121063971

IUPAC2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C23H25ClN6O3/c24-18-6-4-17(5-7-18)19-12-23(32)30(16-28-19)14-21(31)25-8-11-33-22-13-20(26-15-27-22)29-9-2-1-3-10-29/h4-7,12-13,15-16H,1-3,8-11,14H2,(H,25,31)
InChIKeyYCCKLZGJNQMBPH-UHFFFAOYSA-N
MW468.95 g/mol
LogP2.54
Rot. Bonds8

About 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (PubChem CID 121063971) has the molecular formula C23H25ClN6O3 and a molecular weight of 468.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
PubChem CID121063971
Molecular FormulaC23H25ClN6O3
Molecular Weight468.95 g/mol
Exact Mass468.17
IUPAC Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C23H25ClN6O3/c24-18-6-4-17(5-7-18)19-12-23(32)30(16-28-19)14-21(31)25-8-11-33-22-13-20(26-15-27-22)29-9-2-1-3-10-29/h4-7,12-13,15-16H,1-3,8-11,14H2,(H,25,31)
InChIKeyYCCKLZGJNQMBPH-UHFFFAOYSA-N
XLogP2.54
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 121063830
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121064091
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121051139
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30936047
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582039
6-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 30935730

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (CID 121063971) is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCCOc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The InChIKey is YCCKLZGJNQMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O3/c24-18-6-4-17(5-7-18)19-12-23(32)30(16-28-19)14-21(31)25-8-11-33-22-13-20(26-15-27-22)29-9-2-1-3-10-29/h4-7,12-13,15-16H,1-3,8-11,14H2,(H,25,31).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide has a molecular weight of 468.95 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is sourced from PubChem (CID 121063971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).