N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride

C18H23ClN2O2 — CID 154900847

IUPACN-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)N(C)C3CCNCC3)cc2)o1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-3-8-17(22-13)14-4-6-15(7-5-14)18(21)20(2)16-9-11-19-12-10-16;/h3-8,16,19H,9-12H2,1-2H3;1H
InChIKeySZYRQOAENNRASW-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.50
Rot. Bonds3

About N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride

N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 154900847) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID154900847
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)N(C)C3CCNCC3)cc2)o1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-3-8-17(22-13)14-4-6-15(7-5-14)18(21)20(2)16-9-11-19-12-10-16;/h3-8,16,19H,9-12H2,1-2H3;1H
InChIKeySZYRQOAENNRASW-UHFFFAOYSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
5-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119552942
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442633
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide;hydrochloride
CID 119443523

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride (CID 154900847) is N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride is Cc1ccc(-c2ccc(C(=O)N(C)C3CCNCC3)cc2)o1.Cl.
What is the InChIKey of N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is SZYRQOAENNRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-3-8-17(22-13)14-4-6-15(7-5-14)18(21)20(2)16-9-11-19-12-10-16;/h3-8,16,19H,9-12H2,1-2H3;1H.
What are the key properties of N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride?
N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 154900847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).