3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide

C17H25N3O4 — CID 108950784

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
SMILESCCCCCNC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O4/c1-2-3-4-7-18-15(21)13-16(22)19-8-10-20(11-9-19)17(23)14-6-5-12-24-14/h5-6,12H,2-4,7-11,13H2,1H3,(H,18,21)
InChIKeyYLSKXKSMZAYGKA-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.26
Rot. Bonds7

About 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide

3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide (PubChem CID 108950784) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
PubChem CID108950784
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
SMILESCCCCCNC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O4/c1-2-3-4-7-18-15(21)13-16(22)19-8-10-20(11-9-19)17(23)14-6-5-12-24-14/h5-6,12H,2-4,7-11,13H2,1H3,(H,18,21)
InChIKeyYLSKXKSMZAYGKA-UHFFFAOYSA-N
XLogP1.26
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108946239
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
CID 108946870
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
N-(2-tert-butylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108950812
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide (CID 108950784) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide is CCCCCNC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide?
The InChIKey is YLSKXKSMZAYGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-2-3-4-7-18-15(21)13-16(22)19-8-10-20(11-9-19)17(23)14-6-5-12-24-14/h5-6,12H,2-4,7-11,13H2,1H3,(H,18,21).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide is sourced from PubChem (CID 108950784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).