1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide

C16H21N3O2 — CID 80702285

IUPAC1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1Cc1coc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-18(2)16(20)14-9-17-7-8-19(14)10-12-11-21-15-6-4-3-5-13(12)15/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyPZWHMNMOYRRLOD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.29
Rot. Bonds3

About 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide

1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 80702285) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID80702285
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1Cc1coc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-18(2)16(20)14-9-17-7-8-19(14)10-12-11-21-15-6-4-3-5-13(12)15/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyPZWHMNMOYRRLOD-UHFFFAOYSA-N
XLogP1.29
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-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 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide (CID 80702285) is 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide is CN(C)C(=O)C1CNCCN1Cc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is PZWHMNMOYRRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(2)16(20)14-9-17-7-8-19(14)10-12-11-21-15-6-4-3-5-13(12)15/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide?
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 80702285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).