2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one

C17H31N3O — CID 82888824

IUPAC2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
SMILESCN1CCN(CCN2CCCCC2C2CCCC2=O)CC1
InChIInChI=1S/C17H31N3O/c1-18-9-11-19(12-10-18)13-14-20-8-3-2-6-16(20)15-5-4-7-17(15)21/h15-16H,2-14H2,1H3
InChIKeyLHPGIEMGKXAUOC-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.46
Rot. Bonds4

About 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 82888824) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID82888824
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
SMILESCN1CCN(CCN2CCCCC2C2CCCC2=O)CC1
InChIInChI=1S/C17H31N3O/c1-18-9-11-19(12-10-18)13-14-20-8-3-2-6-16(20)15-5-4-7-17(15)21/h15-16H,2-14H2,1H3
InChIKeyLHPGIEMGKXAUOC-UHFFFAOYSA-N
XLogP1.46
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one (CID 82888824) is 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one is CN1CCN(CCN2CCCCC2C2CCCC2=O)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is LHPGIEMGKXAUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-18-9-11-19(12-10-18)13-14-20-8-3-2-6-16(20)15-5-4-7-17(15)21/h15-16H,2-14H2,1H3.
What are the key properties of 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 293.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 82888824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).