2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C13H26N4O — CID 103976457

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(N)C1CCN(CC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C13H26N4O/c1-11(14)12-3-4-16(9-12)10-13(18)17-7-5-15(2)6-8-17/h11-12H,3-10,14H2,1-2H3
InChIKeyUOJNURHDHOXCDM-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.57
Rot. Bonds3

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 103976457) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID103976457
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(N)C1CCN(CC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C13H26N4O/c1-11(14)12-3-4-16(9-12)10-13(18)17-7-5-15(2)6-8-17/h11-12H,3-10,14H2,1-2H3
InChIKeyUOJNURHDHOXCDM-UHFFFAOYSA-N
XLogP-0.57
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 103976457) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CC(N)C1CCN(CC(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UOJNURHDHOXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(14)12-3-4-16(9-12)10-13(18)17-7-5-15(2)6-8-17/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 254.38 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103976457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).