N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide

C17H23N3O3S — CID 97039064

IUPACN-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)NCc1ccco1
InChIInChI=1S/C17H23N3O3S/c21-15(16-4-2-10-24-16)12-19-5-7-20(8-6-19)13-17(22)18-11-14-3-1-9-23-14/h1-4,9-10,15,21H,5-8,11-13H2,(H,18,22)/t15-/m1/s1
InChIKeyNAZZEQMDBUYDEA-OAHLLOKOSA-N
MW349.46 g/mol
LogP1.31
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide (PubChem CID 97039064) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
PubChem CID97039064
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)NCc1ccco1
InChIInChI=1S/C17H23N3O3S/c21-15(16-4-2-10-24-16)12-19-5-7-20(8-6-19)13-17(22)18-11-14-3-1-9-23-14/h1-4,9-10,15,21H,5-8,11-13H2,(H,18,22)/t15-/m1/s1
InChIKeyNAZZEQMDBUYDEA-OAHLLOKOSA-N
XLogP1.31
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
(3R)-5-(furan-2-ylmethylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 94708709
2-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115285808
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide (CID 97039064) is N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C[C@@H](O)c2cccs2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
The InChIKey is NAZZEQMDBUYDEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-15(16-4-2-10-24-16)12-19-5-7-20(8-6-19)13-17(22)18-11-14-3-1-9-23-14/h1-4,9-10,15,21H,5-8,11-13H2,(H,18,22)/t15-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 97039064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).