1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one

C14H27N3O — CID 82892304

IUPAC1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CCN1CCN(C)CC1
InChIInChI=1S/C14H27N3O/c1-13(18)12-14-4-3-5-17(14)11-10-16-8-6-15(2)7-9-16/h14H,3-12H2,1-2H3
InChIKeyIDOGNKPSKYVPBW-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.68
Rot. Bonds5

About 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one

1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 82892304) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
PubChem CID82892304
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CCN1CCN(C)CC1
InChIInChI=1S/C14H27N3O/c1-13(18)12-14-4-3-5-17(14)11-10-16-8-6-15(2)7-9-16/h14H,3-12H2,1-2H3
InChIKeyIDOGNKPSKYVPBW-UHFFFAOYSA-N
XLogP0.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one (CID 82892304) is 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CCN1CCN(C)CC1.
What is the InChIKey of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is IDOGNKPSKYVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(18)12-14-4-3-5-17(14)11-10-16-8-6-15(2)7-9-16/h14H,3-12H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 253.39 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 82892304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).