N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

C22H26ClN3O3 — CID 119461957

IUPACN-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C22H25N3O3.ClH/c26-21(24-14-15-5-4-10-23-13-15)17-7-3-8-18(11-17)25-22(27)20-12-16-6-1-2-9-19(16)28-20;/h1-3,6-9,11,15,20,23H,4-5,10,12-14H2,(H,24,26)(H,25,27);1H
InChIKeyGNSOEZVIRGFXOF-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.78
Rot. Bonds5

About N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride

N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119461957) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119461957
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C22H25N3O3.ClH/c26-21(24-14-15-5-4-10-23-13-15)17-7-3-8-18(11-17)25-22(27)20-12-16-6-1-2-9-19(16)28-20;/h1-3,6-9,11,15,20,23H,4-5,10,12-14H2,(H,24,26)(H,25,27);1H
InChIKeyGNSOEZVIRGFXOF-UHFFFAOYSA-N
XLogP2.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119556996
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119556997
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119557953
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119570163
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-[3-(3-cyclohexyloxypropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55821329
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride (CID 119461957) is N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is GNSOEZVIRGFXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c26-21(24-14-15-5-4-10-23-13-15)17-7-3-8-18(11-17)25-22(27)20-12-16-6-1-2-9-19(16)28-20;/h1-3,6-9,11,15,20,23H,4-5,10,12-14H2,(H,24,26)(H,25,27);1H.
What are the key properties of N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride?
N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-3-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119461957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).