2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide

C23H23ClN6O2 — CID 142946389

IUPAC2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide
SMILESNC(=O)CC1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CCN1
InChIInChI=1S/C23H23ClN6O2/c24-17-5-1-15(2-6-17)20-9-10-27-23(29-20)28-18-7-3-16(4-8-18)22(32)30-12-11-26-19(14-30)13-21(25)31/h1-10,19,26H,11-14H2,(H2,25,31)(H,27,28,29)
InChIKeyWKFCXXBCHQBMHI-UHFFFAOYSA-N
MW450.93 g/mol
LogP2.83
Rot. Bonds6

About 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide

2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide (PubChem CID 142946389) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide
PubChem CID142946389
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide
SMILESNC(=O)CC1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CCN1
InChIInChI=1S/C23H23ClN6O2/c24-17-5-1-15(2-6-17)20-9-10-27-23(29-20)28-18-7-3-16(4-8-18)22(32)30-12-11-26-19(14-30)13-21(25)31/h1-10,19,26H,11-14H2,(H2,25,31)(H,27,28,29)
InChIKeyWKFCXXBCHQBMHI-UHFFFAOYSA-N
XLogP2.83
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-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

(4-aminopiperidin-1-yl)-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]methanone;ethane
CID 142946360
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]-N-cyclohexylpiperazine-1-carboxamide
CID 58717032
[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-cyclopentylmethanone
CID 58716733
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 142946327
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(2,5-dimethylpiperazin-1-yl)methanone
CID 58716755
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 58716618
2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 58716688
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-[[(2R)-1-hydroxypropan-2-yl]amino]piperidin-1-yl]methanone
CID 58716597
N-[1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperidin-4-yl]morpholine-4-carboxamide
CID 58716601
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(4-hydroxybutylamino)piperidin-1-yl]methanone
CID 58716813
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58716700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide?
The IUPAC name of 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide (CID 142946389) is 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide?
The canonical SMILES for 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide is NC(=O)CC1CN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CCN1.
What is the InChIKey of 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide?
The InChIKey is WKFCXXBCHQBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c24-17-5-1-15(2-6-17)20-9-10-27-23(29-20)28-18-7-3-16(4-8-18)22(32)30-12-11-26-19(14-30)13-21(25)31/h1-10,19,26H,11-14H2,(H2,25,31)(H,27,28,29).
What are the key properties of 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide?
2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide has a molecular weight of 450.93 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 142946389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).