N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide

C19H20FN3O4 — CID 108946239

IUPACN-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)NCc1ccccc1F
InChIInChI=1S/C19H20FN3O4/c20-15-5-2-1-4-14(15)13-21-17(24)12-18(25)22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKeyNEHVZGFZTRUKBQ-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.41
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide

N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108946239) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108946239
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)NCc1ccccc1F
InChIInChI=1S/C19H20FN3O4/c20-15-5-2-1-4-14(15)13-21-17(24)12-18(25)22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKeyNEHVZGFZTRUKBQ-UHFFFAOYSA-N
XLogP1.41
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
CID 108946870
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2336332
N-[2-(2-fluorophenyl)ethyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109024662
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
CID 108950784
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119
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-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
4-(furan-2-carbonyl)-N'-methyl-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111167773

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide (CID 108946239) is N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide is O=C(CC(=O)N1CCN(C(=O)c2ccco2)CC1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is NEHVZGFZTRUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-15-5-2-1-4-14(15)13-21-17(24)12-18(25)22-7-9-23(10-8-22)19(26)16-6-3-11-27-16/h1-6,11H,7-10,12-13H2,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 373.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108946239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).