1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C24H33N7O — CID 154830256

IUPAC1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2cc(N3CCCC3)ncn2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N7O/c32-24(31-16-14-28(15-17-31)21-6-2-1-3-7-21)19-27-10-12-30(13-11-27)23-18-22(25-20-26-23)29-8-4-5-9-29/h1-3,6-7,18,20H,4-5,8-17,19H2
InChIKeyMIKQJXUUVBIQSD-UHFFFAOYSA-N
MW435.58 g/mol
LogP1.55
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 154830256) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID154830256
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2cc(N3CCCC3)ncn2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N7O/c32-24(31-16-14-28(15-17-31)21-6-2-1-3-7-21)19-27-10-12-30(13-11-27)23-18-22(25-20-26-23)29-8-4-5-9-29/h1-3,6-7,18,20H,4-5,8-17,19H2
InChIKeyMIKQJXUUVBIQSD-UHFFFAOYSA-N
XLogP1.55
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 719503
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile;dihydrochloride
CID 2916737
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 163345167
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 154830256) is 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2cc(N3CCCC3)ncn2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is MIKQJXUUVBIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c32-24(31-16-14-28(15-17-31)21-6-2-1-3-7-21)19-27-10-12-30(13-11-27)23-18-22(25-20-26-23)29-8-4-5-9-29/h1-3,6-7,18,20H,4-5,8-17,19H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 435.58 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).