2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone

C22H29N5O — CID 77089142

IUPAC2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCN1CCCCC1CC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H29N5O/c1-25-12-6-5-9-19(25)17-21(28)26-13-15-27(16-14-26)22-23-11-10-20(24-22)18-7-3-2-4-8-18/h2-4,7-8,10-11,19H,5-6,9,12-17H2,1H3
InChIKeyYDWHVGJARITTFJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.67
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone

2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 77089142) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID77089142
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCN1CCCCC1CC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H29N5O/c1-25-12-6-5-9-19(25)17-21(28)26-13-15-27(16-14-26)22-23-11-10-20(24-22)18-7-3-2-4-8-18/h2-4,7-8,10-11,19H,5-6,9,12-17H2,1H3
InChIKeyYDWHVGJARITTFJ-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone (CID 77089142) is 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone is CN1CCCCC1CC(=O)N1CCN(c2nccc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is YDWHVGJARITTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-25-12-6-5-9-19(25)17-21(28)26-13-15-27(16-14-26)22-23-11-10-20(24-22)18-7-3-2-4-8-18/h2-4,7-8,10-11,19H,5-6,9,12-17H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone?
2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 379.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 77089142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).