(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone

C20H32N6O2 — CID 53165758

IUPAC(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1
InChIInChI=1S/C20H32N6O2/c1-2-23-7-9-26(10-8-23)20(27)17-3-5-24(6-4-17)18-15-21-16-22-19(18)25-11-13-28-14-12-25/h15-17H,2-14H2,1H3
InChIKeyUVXWTRAZISAYAD-UHFFFAOYSA-N
MW388.52 g/mol
LogP0.69
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 53165758) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID53165758
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
SMILESCCN1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1
InChIInChI=1S/C20H32N6O2/c1-2-23-7-9-26(10-8-23)20(27)17-3-5-24(6-4-17)18-15-21-16-22-19(18)25-11-13-28-14-12-25/h15-17H,2-14H2,1H3
InChIKeyUVXWTRAZISAYAD-UHFFFAOYSA-N
XLogP0.69
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

morpholin-4-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165660
N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165858
N-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165812
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165655
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100787
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100785
N-[[4-(dimethylamino)phenyl]methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165860
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 95100791
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165808
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-4-carboxamide
CID 95114164
N-(4-fluoro-2-methylphenyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165791
[1-(5-aminopyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 140653092

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone (CID 53165758) is (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone is CCN1CCN(C(=O)C2CCN(c3cncnc3N3CCOCC3)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is UVXWTRAZISAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-2-23-7-9-26(10-8-23)20(27)17-3-5-24(6-4-17)18-15-21-16-22-19(18)25-11-13-28-14-12-25/h15-17H,2-14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone has a molecular weight of 388.52 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 53165758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).