cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

C18H33N3O — CID 53193410

IUPACcyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCN1CCN(CCC2CCCCN2C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H33N3O/c1-19-12-14-20(15-13-19)11-9-17-8-4-5-10-21(17)18(22)16-6-2-3-7-16/h16-17H,2-15H2,1H3
InChIKeyWNEMTAUCNIEFTF-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.20
Rot. Bonds4

About cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone

cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 53193410) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID53193410
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Namecyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCN1CCN(CCC2CCCCN2C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H33N3O/c1-19-12-14-20(15-13-19)11-9-17-8-4-5-10-21(17)18(22)16-6-2-3-7-16/h16-17H,2-15H2,1H3
InChIKeyWNEMTAUCNIEFTF-UHFFFAOYSA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Bis(cyclopentylcarbonyl)-2,5-dimethylpiperazine
CID 2932335
3-Cyclopentyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 806400
3-Cyclohexyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 53530092
2-Cyclopentyl-1-[2-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]ethanone
CID 124042367
Cyclopentyl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 39998492
1-(4-Cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one
CID 787174
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 24719804
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 24719813
1-[4-(1-Cyclopentyl-2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 24719814
1-[4-[1-Cyclopentyl-2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 24719829
1-[4-[1-Cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24719854
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-ethyl-N-methylacetamide
CID 24719908

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone (CID 53193410) is cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is CN1CCN(CCC2CCCCN2C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is WNEMTAUCNIEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-19-12-14-20(15-13-19)11-9-17-8-4-5-10-21(17)18(22)16-6-2-3-7-16/h16-17H,2-15H2,1H3.
What are the key properties of cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone?
cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 307.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53193410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).