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

C19H23N3O3 — CID 4881494

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-14-5-7-16(8-6-14)20-18(23)15(2)21-9-11-22(12-10-21)19(24)17-4-3-13-25-17/h3-8,13,15H,9-12H2,1-2H3,(H,20,23)
InChIKeyICXVBANWBMIQQY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.37
Rot. Bonds4

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (PubChem CID 4881494) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
PubChem CID4881494
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-14-5-7-16(8-6-14)20-18(23)15(2)21-9-11-22(12-10-21)19(24)17-4-3-13-25-17/h3-8,13,15H,9-12H2,1-2H3,(H,20,23)
InChIKeyICXVBANWBMIQQY-UHFFFAOYSA-N
XLogP2.37
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
2-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 46027437
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 27154894
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
ethyl 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3961833
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 134062689

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (CID 4881494) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is ICXVBANWBMIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-5-7-16(8-6-14)20-18(23)15(2)21-9-11-22(12-10-21)19(24)17-4-3-13-25-17/h3-8,13,15H,9-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.37, 4 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-(4-methylphenyl)propanamide is sourced from PubChem (CID 4881494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).