2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

C13H21N3O2 — CID 81400767

IUPAC2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccco1
InChIInChI=1S/C13H21N3O2/c1-11(12-4-3-9-18-12)14-10-13(17)16-7-5-15(2)6-8-16/h3-4,9,11,14H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyUCIZDSDXXWVDEV-LLVKDONJSA-N
MW251.33 g/mol
LogP0.70
Rot. Bonds4

About 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 81400767) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID81400767
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESC[C@@H](NCC(=O)N1CCN(C)CC1)c1ccco1
InChIInChI=1S/C13H21N3O2/c1-11(12-4-3-9-18-12)14-10-13(17)16-7-5-15(2)6-8-16/h3-4,9,11,14H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyUCIZDSDXXWVDEV-LLVKDONJSA-N
XLogP0.70
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethanone
CID 8921553
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethanone
CID 8919704
2-[1-(4-bromophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60694356
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81368251

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 81400767) is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is C[C@@H](NCC(=O)N1CCN(C)CC1)c1ccco1.
What is the InChIKey of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UCIZDSDXXWVDEV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11(12-4-3-9-18-12)14-10-13(17)16-7-5-15(2)6-8-16/h3-4,9,11,14H,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 81400767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).