1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

C22H35N5O2 — CID 53189249

IUPAC1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCN(C4CCCCC4)CC3)CC2)n1
InChIInChI=1S/C22H35N5O2/c1-29-22-23-10-7-20(24-22)26-11-8-18(9-12-26)17-21(28)27-15-13-25(14-16-27)19-5-3-2-4-6-19/h7,10,18-19H,2-6,8-9,11-17H2,1H3
InChIKeyUPMHPCJEROVVPY-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone

1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (PubChem CID 53189249) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
PubChem CID53189249
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCN(C4CCCCC4)CC3)CC2)n1
InChIInChI=1S/C22H35N5O2/c1-29-22-23-10-7-20(24-22)26-11-8-18(9-12-26)17-21(28)27-15-13-25(14-16-27)19-5-3-2-4-6-19/h7,10,18-19H,2-6,8-9,11-17H2,1H3
InChIKeyUPMHPCJEROVVPY-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone (CID 53189249) is 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is COc1nccc(N2CCC(CC(=O)N3CCN(C4CCCCC4)CC3)CC2)n1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
The InChIKey is UPMHPCJEROVVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-29-22-23-10-7-20(24-22)26-11-8-18(9-12-26)17-21(28)27-15-13-25(14-16-27)19-5-3-2-4-6-19/h7,10,18-19H,2-6,8-9,11-17H2,1H3.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone?
1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone has a molecular weight of 401.56 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 53189249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).