N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide

C20H28N2O2 — CID 119705070

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)C(C)c1cc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C20H28N2O2/c1-14(17-8-6-10-21-13-17)11-20(23)22(3)15(2)19-12-16-7-4-5-9-18(16)24-19/h4-5,7,9,12,14-15,17,21H,6,8,10-11,13H2,1-3H3
InChIKeyYULBRZLWAZGEEZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.98
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide (PubChem CID 119705070) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
PubChem CID119705070
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)C(C)c1cc2ccccc2o1)C1CCCNC1
InChIInChI=1S/C20H28N2O2/c1-14(17-8-6-10-21-13-17)11-20(23)22(3)15(2)19-12-16-7-4-5-9-18(16)24-19/h4-5,7,9,12,14-15,17,21H,6,8,10-11,13H2,1-3H3
InChIKeyYULBRZLWAZGEEZ-UHFFFAOYSA-N
XLogP3.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
2-(1-aminocyclobutyl)-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylacetamide
CID 79844029
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 111113418

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide (CID 119705070) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C)C(C)c1cc2ccccc2o1)C1CCCNC1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide?
The InChIKey is YULBRZLWAZGEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(17-8-6-10-21-13-17)11-20(23)22(3)15(2)19-12-16-7-4-5-9-18(16)24-19/h4-5,7,9,12,14-15,17,21H,6,8,10-11,13H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide has a molecular weight of 328.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119705070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).