2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide

C20H25N3O3 — CID 46162177

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-15(17-7-4-3-5-8-17)21-19(24)16(2)22-10-12-23(13-11-22)20(25)18-9-6-14-26-18/h3-9,14-16H,10-13H2,1-2H3,(H,21,24)
InChIKeyOHSIVPVOOVQHQO-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide (PubChem CID 46162177) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
PubChem CID46162177
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-15(17-7-4-3-5-8-17)21-19(24)16(2)22-10-12-23(13-11-22)20(25)18-9-6-14-26-18/h3-9,14-16H,10-13H2,1-2H3,(H,21,24)
InChIKeyOHSIVPVOOVQHQO-UHFFFAOYSA-N
XLogP2.30
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
N-benzhydryl-4-(furan-2-carbonyl)piperazine-1-carbothioamide
CID 3573724
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide (CID 46162177) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is OHSIVPVOOVQHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15(17-7-4-3-5-8-17)21-19(24)16(2)22-10-12-23(13-11-22)20(25)18-9-6-14-26-18/h3-9,14-16H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 46162177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).