4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide

C20H26N6O — CID 146132676

IUPAC4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N6O/c21-19(27)16-4-6-17(7-5-16)24-12-14-25(15-13-24)18-8-9-22-20(23-18)26-10-2-1-3-11-26/h4-9H,1-3,10-15H2,(H2,21,27)
InChIKeyHSWWSATUIIRIMY-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.89
Rot. Bonds4

About 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide

4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide (PubChem CID 146132676) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
PubChem CID146132676
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N6O/c21-19(27)16-4-6-17(7-5-16)24-12-14-25(15-13-24)18-8-9-22-20(23-18)26-10-2-1-3-11-26/h4-9H,1-3,10-15H2,(H2,21,27)
InChIKeyHSWWSATUIIRIMY-UHFFFAOYSA-N
XLogP1.89
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
4-[4-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzoic acid
CID 135109084
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
2,1,3-benzothiadiazol-5-yl-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344080
(3-fluoro-4-methylphenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344165

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide (CID 146132676) is 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc1.
What is the InChIKey of 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide?
The InChIKey is HSWWSATUIIRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c21-19(27)16-4-6-17(7-5-16)24-12-14-25(15-13-24)18-8-9-22-20(23-18)26-10-2-1-3-11-26/h4-9H,1-3,10-15H2,(H2,21,27).
What are the key properties of 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide?
4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide is sourced from PubChem (CID 146132676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).