N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C15H21ClN2O2 — CID 120553307

IUPACN-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1Cc2ccccc2O1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10-9-16-7-6-12(10)17-15(18)14-8-11-4-2-3-5-13(11)19-14;/h2-5,10,12,14,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyVPDBWGUYMFGOJN-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.53
Rot. Bonds2

About N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120553307) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120553307
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1Cc2ccccc2O1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10-9-16-7-6-12(10)17-15(18)14-8-11-4-2-3-5-13(11)19-14;/h2-5,10,12,14,16H,6-9H2,1H3,(H,17,18);1H
InChIKeyVPDBWGUYMFGOJN-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 120553307) is N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1Cc2ccccc2O1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is VPDBWGUYMFGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-10-9-16-7-6-12(10)17-15(18)14-8-11-4-2-3-5-13(11)19-14;/h2-5,10,12,14,16H,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120553307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).