furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone

C17H22N2O4S — CID 2359522

IUPACfuran-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C[C@H](O)COCc2cccs2)CC1
InChIInChI=1S/C17H22N2O4S/c20-14(12-22-13-15-3-2-10-24-15)11-18-5-7-19(8-6-18)17(21)16-4-1-9-23-16/h1-4,9-10,14,20H,5-8,11-13H2/t14-/m0/s1
InChIKeyKBJIPXHGTSPNPX-AWEZNQCLSA-N
MW350.44 g/mol
LogP1.68
Rot. Bonds7

About furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone (PubChem CID 2359522) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
PubChem CID2359522
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Namefuran-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C[C@H](O)COCc2cccs2)CC1
InChIInChI=1S/C17H22N2O4S/c20-14(12-22-13-15-3-2-10-24-15)11-18-5-7-19(8-6-18)17(21)16-4-1-9-23-16/h1-4,9-10,14,20H,5-8,11-13H2/t14-/m0/s1
InChIKeyKBJIPXHGTSPNPX-AWEZNQCLSA-N
XLogP1.68
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
[4-[(2S)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 25359245
2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30738692
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 32603232
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 95322523
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone (CID 2359522) is furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C[C@H](O)COCc2cccs2)CC1.
What is the InChIKey of furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is KBJIPXHGTSPNPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O4S/c20-14(12-22-13-15-3-2-10-24-15)11-18-5-7-19(8-6-18)17(21)16-4-1-9-23-16/h1-4,9-10,14,20H,5-8,11-13H2/t14-/m0/s1.
What are the key properties of furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 350.44 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2359522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).