N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C20H25N3O3 — CID 109030173

IUPACN-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C20H25N3O3/c1-15-5-3-6-17(16(15)2)21-19(24)8-9-22-10-12-23(13-11-22)20(25)18-7-4-14-26-18/h3-7,14H,8-13H2,1-2H3,(H,21,24)
InChIKeyWSFJQYGYHAOQIV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.68
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 109030173) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID109030173
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C20H25N3O3/c1-15-5-3-6-17(16(15)2)21-19(24)8-9-22-10-12-23(13-11-22)20(25)18-7-4-14-26-18/h3-7,14H,8-13H2,1-2H3,(H,21,24)
InChIKeyWSFJQYGYHAOQIV-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]propanamide
CID 109019119
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
CID 110389902
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376096
N-[3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 27859658
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30396658

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 109030173) is N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is Cc1cccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is WSFJQYGYHAOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-5-3-6-17(16(15)2)21-19(24)8-9-22-10-12-23(13-11-22)20(25)18-7-4-14-26-18/h3-7,14H,8-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109030173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).