2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C16H27N3O3 — CID 95352390

IUPAC2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOCCN1CCN(CC(=O)NCc2ccco2)C[C@@H]1C
InChIInChI=1S/C16H27N3O3/c1-3-21-10-8-19-7-6-18(12-14(19)2)13-16(20)17-11-15-5-4-9-22-15/h4-5,9,14H,3,6-8,10-13H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyFYWDXHCWSVQGCG-AWEZNQCLSA-N
MW309.41 g/mol
LogP0.94
Rot. Bonds8

About 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 95352390) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID95352390
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOCCN1CCN(CC(=O)NCc2ccco2)C[C@@H]1C
InChIInChI=1S/C16H27N3O3/c1-3-21-10-8-19-7-6-18(12-14(19)2)13-16(20)17-11-15-5-4-9-22-15/h4-5,9,14H,3,6-8,10-13H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyFYWDXHCWSVQGCG-AWEZNQCLSA-N
XLogP0.94
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280
2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 95352390) is 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is CCOCCN1CCN(CC(=O)NCc2ccco2)C[C@@H]1C.
What is the InChIKey of 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FYWDXHCWSVQGCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-21-10-8-19-7-6-18(12-14(19)2)13-16(20)17-11-15-5-4-9-22-15/h4-5,9,14H,3,6-8,10-13H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 95352390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).