2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide

C24H26ClN5O2 — CID 134797264

IUPAC2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C24H26ClN5O2/c1-32-21-7-5-19(6-8-21)27-22-9-12-26-24(29-22)30-13-10-20(11-14-30)28-23(31)16-17-3-2-4-18(25)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyHWBGHGHHIUAHMF-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.21
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide

2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 134797264) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID134797264
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C24H26ClN5O2/c1-32-21-7-5-19(6-8-21)27-22-9-12-26-24(29-22)30-13-10-20(11-14-30)28-23(31)16-17-3-2-4-18(25)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyHWBGHGHHIUAHMF-UHFFFAOYSA-N
XLogP4.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 134797264) is 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide is COc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4cccc(Cl)c4)CC3)n2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is HWBGHGHHIUAHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-32-21-7-5-19(6-8-21)27-22-9-12-26-24(29-22)30-13-10-20(11-14-30)28-23(31)16-17-3-2-4-18(25)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,28,31)(H,26,27,29).
What are the key properties of 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 451.96 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134797264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).