N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride

C21H23ClN2O2 — CID 119275756

IUPACN-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1cc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C21H22N2O2.ClH/c24-21(17-10-6-12-22-14-17)23-20(15-7-2-1-3-8-15)19-13-16-9-4-5-11-18(16)25-19;/h1-5,7-9,11,13,17,20,22H,6,10,12,14H2,(H,23,24);1H
InChIKeyPKJFNQVJMAWBEL-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.06
Rot. Bonds4

About N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119275756) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119275756
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1cc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C21H22N2O2.ClH/c24-21(17-10-6-12-22-14-17)23-20(15-7-2-1-3-8-15)19-13-16-9-4-5-11-18(16)25-19;/h1-5,7-9,11,13,17,20,22H,6,10,12,14H2,(H,23,24);1H
InChIKeyPKJFNQVJMAWBEL-UHFFFAOYSA-N
XLogP4.06
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-1-benzofuran-2-yl(phenyl)methyl]cyclobutanecarboxamide
CID 40789963
N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119697982
3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
CID 119697972
(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119320936
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 97023553
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119275756) is N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NC(c1ccccc1)c1cc2ccccc2o1)C1CCCNC1.
What is the InChIKey of N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PKJFNQVJMAWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.ClH/c24-21(17-10-6-12-22-14-17)23-20(15-7-2-1-3-8-15)19-13-16-9-4-5-11-18(16)25-19;/h1-5,7-9,11,13,17,20,22H,6,10,12,14H2,(H,23,24);1H.
What are the key properties of N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).