N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C17H24N2O2 — CID 106626211

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)C1COc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-2-19(11-13-7-5-6-10-18-13)17(20)15-12-21-16-9-4-3-8-14(15)16/h3-4,8-9,13,15,18H,2,5-7,10-12H2,1H3
InChIKeyIHKLAWICDPPECU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 106626211) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID106626211
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)C1COc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-2-19(11-13-7-5-6-10-18-13)17(20)15-12-21-16-9-4-3-8-14(15)16/h3-4,8-9,13,15,18H,2,5-7,10-12H2,1H3
InChIKeyIHKLAWICDPPECU-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 106626211) is N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide is CCN(CC1CCCCN1)C(=O)C1COc2ccccc21.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is IHKLAWICDPPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-19(11-13-7-5-6-10-18-13)17(20)15-12-21-16-9-4-3-8-14(15)16/h3-4,8-9,13,15,18H,2,5-7,10-12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106626211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).