N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide

C20H28N2O3 — CID 24794052

IUPACN-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCCN3CCCC(O)C3)c(C)c2c1
InChIInChI=1S/C20H28N2O3/c1-3-5-15-7-8-18-17(12-15)14(2)19(25-18)20(24)21-9-11-22-10-4-6-16(23)13-22/h7-8,12,16,23H,3-6,9-11,13H2,1-2H3,(H,21,24)
InChIKeyNWHHVUTYRFQOAC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide

N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide (PubChem CID 24794052) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
PubChem CID24794052
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCCN3CCCC(O)C3)c(C)c2c1
InChIInChI=1S/C20H28N2O3/c1-3-5-15-7-8-18-17(12-15)14(2)19(25-18)20(24)21-9-11-22-10-4-6-16(23)13-22/h7-8,12,16,23H,3-6,9-11,13H2,1-2H3,(H,21,24)
InChIKeyNWHHVUTYRFQOAC-UHFFFAOYSA-N
XLogP2.88
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide (CID 24794052) is N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)NCCN3CCCC(O)C3)c(C)c2c1.
What is the InChIKey of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
The InChIKey is NWHHVUTYRFQOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-5-15-7-8-18-17(12-15)14(2)19(25-18)20(24)21-9-11-22-10-4-6-16(23)13-22/h7-8,12,16,23H,3-6,9-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide?
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-methyl-5-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24794052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).