3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide

C25H28N2O3 — CID 26396661

IUPAC3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCc1ccc2c(C)c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)oc2c1
InChIInChI=1S/C25H28N2O3/c1-17-8-10-21-18(2)24(30-22(21)16-17)25(29)27-14-12-19(13-15-27)9-11-23(28)26-20-6-4-3-5-7-20/h3-8,10,16,19H,9,11-15H2,1-2H3,(H,26,28)
InChIKeyRSDZOYNNQWBGGX-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.32
Rot. Bonds5

About 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide

3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 26396661) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID26396661
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCc1ccc2c(C)c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)oc2c1
InChIInChI=1S/C25H28N2O3/c1-17-8-10-21-18(2)24(30-22(21)16-17)25(29)27-14-12-19(13-15-27)9-11-23(28)26-20-6-4-3-5-7-20/h3-8,10,16,19H,9,11-15H2,1-2H3,(H,26,28)
InChIKeyRSDZOYNNQWBGGX-UHFFFAOYSA-N
XLogP5.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 70720743
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
CID 70737776
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42213549
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide (CID 26396661) is 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide is Cc1ccc2c(C)c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)oc2c1.
What is the InChIKey of 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is RSDZOYNNQWBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-8-10-21-18(2)24(30-22(21)16-17)25(29)27-14-12-19(13-15-27)9-11-23(28)26-20-6-4-3-5-7-20/h3-8,10,16,19H,9,11-15H2,1-2H3,(H,26,28).
What are the key properties of 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 26396661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).