2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one

C13H24N2O — CID 79865698

IUPAC2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
SMILESCN1CCN(CC2CCC(C)(C)C2=O)CC1
InChIInChI=1S/C13H24N2O/c1-13(2)5-4-11(12(13)16)10-15-8-6-14(3)7-9-15/h11H,4-10H2,1-3H3
InChIKeyYAJAHGIOCBJXIU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds2

About 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one

2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one (PubChem CID 79865698) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
PubChem CID79865698
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
SMILESCN1CCN(CC2CCC(C)(C)C2=O)CC1
InChIInChI=1S/C13H24N2O/c1-13(2)5-4-11(12(13)16)10-15-8-6-14(3)7-9-15/h11H,4-10H2,1-3H3
InChIKeyYAJAHGIOCBJXIU-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
CID 79866688
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852625
2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one
CID 79866795
2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
CID 79867102
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 82690864
2,2-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-one
CID 79866689
6-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]-2,2-dimethylcyclohexan-1-one
CID 79842208
2,2-dimethyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclohexan-1-one
CID 79842210
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one
CID 79842196
6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852371
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853340

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one (CID 79865698) is 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one is CN1CCN(CC2CCC(C)(C)C2=O)CC1.
What is the InChIKey of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is YAJAHGIOCBJXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)5-4-11(12(13)16)10-15-8-6-14(3)7-9-15/h11H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one?
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 79865698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).