methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate

C16H25N5O2 — CID 133333932

IUPACmethyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C16H25N5O2/c1-23-16(22)12-19-7-9-21(10-8-19)15-11-14(17-13-18-15)20-5-3-2-4-6-20/h11,13H,2-10,12H2,1H3
InChIKeyHMQKIVGNGNEURK-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.76
Rot. Bonds4

About methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate

methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate (PubChem CID 133333932) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
PubChem CID133333932
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Namemethyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C16H25N5O2/c1-23-16(22)12-19-7-9-21(10-8-19)15-11-14(17-13-18-15)20-5-3-2-4-6-20/h11,13H,2-10,12H2,1H3
InChIKeyHMQKIVGNGNEURK-UHFFFAOYSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate 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

N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
ethyl 2-[4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]acetate
CID 133346435
1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154830256
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-5-yl]acetate
CID 75443190
4-(4-but-3-ynylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133453675
4-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-6-methoxypyrimidine
CID 165433836
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
(3-methoxy-4-methylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 133297540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate (CID 133333932) is methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is HMQKIVGNGNEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-23-16(22)12-19-7-9-21(10-8-19)15-11-14(17-13-18-15)20-5-3-2-4-6-20/h11,13H,2-10,12H2,1H3.
What are the key properties of methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate?
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 319.41 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 133333932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).