2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone

C13H20N2O3 — CID 136581014

IUPAC2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
SMILESC[C@H](O)CN1CCN(C(=O)Cc2ccoc2)CC1
InChIInChI=1S/C13H20N2O3/c1-11(16)9-14-3-5-15(6-4-14)13(17)8-12-2-7-18-10-12/h2,7,10-11,16H,3-6,8-9H2,1H3/t11-/m0/s1
InChIKeyAMWJYGSCINUZJY-NSHDSACASA-N
MW252.31 g/mol
LogP0.35
Rot. Bonds4

About 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone

2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone (PubChem CID 136581014) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
PubChem CID136581014
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
SMILESC[C@H](O)CN1CCN(C(=O)Cc2ccoc2)CC1
InChIInChI=1S/C13H20N2O3/c1-11(16)9-14-3-5-15(6-4-14)13(17)8-12-2-7-18-10-12/h2,7,10-11,16H,3-6,8-9H2,1H3/t11-/m0/s1
InChIKeyAMWJYGSCINUZJY-NSHDSACASA-N
XLogP0.35
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 95750555
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95607255
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
CID 95606801
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 71783108
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone (CID 136581014) is 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone is C[C@H](O)CN1CCN(C(=O)Cc2ccoc2)CC1.
What is the InChIKey of 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone?
The InChIKey is AMWJYGSCINUZJY-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11(16)9-14-3-5-15(6-4-14)13(17)8-12-2-7-18-10-12/h2,7,10-11,16H,3-6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone?
2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 136581014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).