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

C16H23ClN2O2 — CID 119557953

IUPACN-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H22N2O2.ClH/c19-16(18-9-7-12-4-3-8-17-11-12)15-10-13-5-1-2-6-14(13)20-15;/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19);1H
InChIKeySVXFUFKAJCFVLU-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.92
Rot. Bonds4

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

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119557953) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119557953
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H22N2O2.ClH/c19-16(18-9-7-12-4-3-8-17-11-12)15-10-13-5-1-2-6-14(13)20-15;/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19);1H
InChIKeySVXFUFKAJCFVLU-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119556996
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60894986
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119556997
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103
N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119461957
N-(1-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119474149
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119447753
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(2-piperidin-3-ylethyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119556041

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119557953) is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is SVXFUFKAJCFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c19-16(18-9-7-12-4-3-8-17-11-12)15-10-13-5-1-2-6-14(13)20-15;/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119557953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).