3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide

C20H25N3O3 — CID 109019119

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H25N3O3/c1-16-5-2-3-6-17(16)15-21-19(24)8-9-22-10-12-23(13-11-22)20(25)18-7-4-14-26-18/h2-7,14H,8-13,15H2,1H3,(H,21,24)
InChIKeyTWXGTLSVGAFBFV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.05
Rot. Bonds6

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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 109019119) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID109019119
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H25N3O3/c1-16-5-2-3-6-17(16)15-21-19(24)8-9-22-10-12-23(13-11-22)20(25)18-7-4-14-26-18/h2-7,14H,8-13,15H2,1H3,(H,21,24)
InChIKeyTWXGTLSVGAFBFV-UHFFFAOYSA-N
XLogP2.05
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-[2-(2-fluorophenyl)ethyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109024662
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
N-[(2-fluorophenyl)methyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108946239
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
CID 108946870
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide (CID 109019119) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is TWXGTLSVGAFBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16-5-2-3-6-17(16)15-21-19(24)8-9-22-10-12-23(13-11-22)20(25)18-7-4-14-26-18/h2-7,14H,8-13,15H2,1H3,(H,21,24).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.05, 6 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]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).