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

C20H23N3O5 — CID 108946870

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
SMILESCOc1ccccc1CNC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23N3O5/c1-27-16-6-3-2-5-15(16)14-21-18(24)13-19(25)22-8-10-23(11-9-22)20(26)17-7-4-12-28-17/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
InChIKeyXKLWGZVAROQXMF-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.28
Rot. Bonds6

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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide (PubChem CID 108946870) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
PubChem CID108946870
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
SMILESCOc1ccccc1CNC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23N3O5/c1-27-16-6-3-2-5-15(16)14-21-18(24)13-19(25)22-8-10-23(11-9-22)20(26)17-7-4-12-28-17/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
InChIKeyXKLWGZVAROQXMF-UHFFFAOYSA-N
XLogP1.28
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]propanamide
CID 109021977
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-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
CID 25162180
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-(2-propan-2-yloxyphenyl)propanamide
CID 108950830
N-[(2,4-dimethoxyphenyl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168095
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
CID 108946846
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide (CID 108946870) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide is COc1ccccc1CNC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide?
The InChIKey is XKLWGZVAROQXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-16-6-3-2-5-15(16)14-21-18(24)13-19(25)22-8-10-23(11-9-22)20(26)17-7-4-12-28-17/h2-7,12H,8-11,13-14H2,1H3,(H,21,24).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide has a molecular weight of 385.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide is sourced from PubChem (CID 108946870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).