N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119474149

IUPACN-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1Cc2ccccc2O1)C1CCCNC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11(13-6-4-8-17-10-13)18-16(19)15-9-12-5-2-3-7-14(12)20-15;/h2-3,5,7,11,13,15,17H,4,6,8-10H2,1H3,(H,18,19);1H
InChIKeySSNGFWFUTDBLLR-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.92
Rot. Bonds3

About N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119474149) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119474149
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1Cc2ccccc2O1)C1CCCNC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11(13-6-4-8-17-10-13)18-16(19)15-9-12-5-2-3-7-14(12)20-15;/h2-3,5,7,11,13,15,17H,4,6,8-10H2,1H3,(H,18,19);1H
InChIKeySSNGFWFUTDBLLR-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119557953
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260228
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120553307
5-oxo-N-(1-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 62034686
N-(1-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide;hydrochloride
CID 119260227
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119474135
N-(1-piperidin-3-ylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119474123

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119474149) is N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is CC(NC(=O)C1Cc2ccccc2O1)C1CCCNC1.Cl.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is SSNGFWFUTDBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-11(13-6-4-8-17-10-13)18-16(19)15-9-12-5-2-3-7-14(12)20-15;/h2-3,5,7,11,13,15,17H,4,6,8-10H2,1H3,(H,18,19);1H.
What are the key properties of N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119474149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).