1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide

C18H24N2O3 — CID 110796341

IUPAC1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H24N2O3/c1-13(21)20-9-5-15(6-10-20)18(22)19-8-4-14-2-3-17-16(12-14)7-11-23-17/h2-3,12,15H,4-11H2,1H3,(H,19,22)
InChIKeyQYPIWFYYNPYOJI-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.54
Rot. Bonds4

About 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 110796341) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID110796341
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C18H24N2O3/c1-13(21)20-9-5-15(6-10-20)18(22)19-8-4-14-2-3-17-16(12-14)7-11-23-17/h2-3,12,15H,4-11H2,1H3,(H,19,22)
InChIKeyQYPIWFYYNPYOJI-UHFFFAOYSA-N
XLogP1.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111562933
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443834
(2R,3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932530
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111563130
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methyloxolan-3-yl)urea
CID 91646578

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide (CID 110796341) is 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is QYPIWFYYNPYOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(21)20-9-5-15(6-10-20)18(22)19-8-4-14-2-3-17-16(12-14)7-11-23-17/h2-3,12,15H,4-11H2,1H3,(H,19,22).
What are the key properties of 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110796341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).