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

C20H24BrN5O — CID 122344318

IUPAC(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H24BrN5O/c21-17-7-3-2-6-16(17)19(27)25-14-12-24(13-15-25)18-8-9-22-20(23-18)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-15H2
InChIKeyCTNBAMZAENERSI-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.19
Rot. Bonds3

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

(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122344318) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122344318
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H24BrN5O/c21-17-7-3-2-6-16(17)19(27)25-14-12-24(13-15-25)18-8-9-22-20(23-18)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-15H2
InChIKeyCTNBAMZAENERSI-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]chromen-2-one
CID 70703025
(5-bromo-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
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N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
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(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343791
(2-phenyltriazol-4-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344085
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
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(5-methylpyrazin-2-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
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(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
(5-chlorothiophen-2-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343810
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
(4-nitrophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344326

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122344318) is (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccccc1Br)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is CTNBAMZAENERSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c21-17-7-3-2-6-16(17)19(27)25-14-12-24(13-15-25)18-8-9-22-20(23-18)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 430.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122344318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).