2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide

C17H27N3O3 — CID 78789973

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCN(C(=O)c2ccco2)CC1)C(C)C
InChIInChI=1S/C17H27N3O3/c1-13(2)20(14(3)4)16(21)12-18-7-9-19(10-8-18)17(22)15-6-5-11-23-15/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyUDZKACFABXYUHT-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 78789973) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID78789973
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCN(C(=O)c2ccco2)CC1)C(C)C
InChIInChI=1S/C17H27N3O3/c1-13(2)20(14(3)4)16(21)12-18-7-9-19(10-8-18)17(22)15-6-5-11-23-15/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyUDZKACFABXYUHT-UHFFFAOYSA-N
XLogP1.68
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 26495597
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55603086
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
N-[2-(dimethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 108994620

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 78789973) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCN(C(=O)c2ccco2)CC1)C(C)C.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is UDZKACFABXYUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)20(14(3)4)16(21)12-18-7-9-19(10-8-18)17(22)15-6-5-11-23-15/h5-6,11,13-14H,7-10,12H2,1-4H3.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 78789973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).