4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one

C17H25N3O — CID 62612019

IUPAC4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H25N3O/c1-14-5-6-16(21)15(12-14)13-19-8-10-20(11-9-19)17-4-2-3-7-18-17/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyHDSLHKOUCFKUGN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.21
Rot. Bonds3

About 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one

4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one (PubChem CID 62612019) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one
PubChem CID62612019
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H25N3O/c1-14-5-6-16(21)15(12-14)13-19-8-10-20(11-9-19)17-4-2-3-7-18-17/h2-4,7,14-15H,5-6,8-13H2,1H3
InChIKeyHDSLHKOUCFKUGN-UHFFFAOYSA-N
XLogP2.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612244
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504823
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
CID 142637683
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one (CID 62612019) is 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one is CC1CCC(=O)C(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is HDSLHKOUCFKUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-5-6-16(21)15(12-14)13-19-8-10-20(11-9-19)17-4-2-3-7-18-17/h2-4,7,14-15H,5-6,8-13H2,1H3.
What are the key properties of 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 287.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 62612019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).