2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one

C16H27N3O2 — CID 79535797

IUPAC2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCN1CCN(C(=O)CN2CCCC2C2CCCC2=O)CC1
InChIInChI=1S/C16H27N3O2/c1-17-8-10-18(11-9-17)16(21)12-19-7-3-5-14(19)13-4-2-6-15(13)20/h13-14H,2-12H2,1H3
InChIKeyAUPGNRJIAWJAGP-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.59
Rot. Bonds3

About 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79535797) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79535797
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCN1CCN(C(=O)CN2CCCC2C2CCCC2=O)CC1
InChIInChI=1S/C16H27N3O2/c1-17-8-10-18(11-9-17)16(21)12-19-7-3-5-14(19)13-4-2-6-15(13)20/h13-14H,2-12H2,1H3
InChIKeyAUPGNRJIAWJAGP-UHFFFAOYSA-N
XLogP0.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanoate
CID 79544027
2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 82888824
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
N-methyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]acetamide
CID 79544652
N-cyclohexyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]acetamide
CID 79535803
2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79552802
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
CID 79548763
methyl 4-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]butanoate
CID 79548843
2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 79544172
2-[2-(2-oxocyclopentyl)piperidin-1-yl]-N-propylacetamide
CID 79545157
2-(1-hexylpiperidin-2-yl)cyclopentan-1-one
CID 79545160
2-[1-(2-ethoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543479

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 79535797) is 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one is CN1CCN(C(=O)CN2CCCC2C2CCCC2=O)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is AUPGNRJIAWJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-8-10-18(11-9-17)16(21)12-19-7-3-5-14(19)13-4-2-6-15(13)20/h13-14H,2-12H2,1H3.
What are the key properties of 2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 293.41 g/mol, XLogP of 0.59, 3 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)-2-oxoethyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79535797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).