2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide

C17H27N3O3 — CID 110397647

IUPAC2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-14(4-2)16(21)18-7-8-19-9-11-20(12-10-19)17(22)15-6-5-13-23-15/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,18,21)
InChIKeyPEMGGDPGMZIQOB-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.59
Rot. Bonds7

About 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide

2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide (PubChem CID 110397647) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
PubChem CID110397647
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-14(4-2)16(21)18-7-8-19-9-11-20(12-10-19)17(22)15-6-5-13-23-15/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,18,21)
InChIKeyPEMGGDPGMZIQOB-UHFFFAOYSA-N
XLogP1.59
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
CID 110397684
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
4-(furan-2-carbonyl)-N'-methyl-N-(2-morpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119130385
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168602
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide (CID 110397647) is 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide is CCC(CC)C(=O)NCCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide?
The InChIKey is PEMGGDPGMZIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-14(4-2)16(21)18-7-8-19-9-11-20(12-10-19)17(22)15-6-5-13-23-15/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,18,21).
What are the key properties of 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide?
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide has a molecular weight of 321.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 110397647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).