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

C16H22N2O2 — CID 106779284

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCNC1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H22N2O2/c17-16(19)13-2-1-8-18-14(13)5-3-11-4-6-15-12(10-11)7-9-20-15/h4,6,10,13-14,18H,1-3,5,7-9H2,(H2,17,19)
InChIKeyJBRHYIQRQAAFES-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.41
Rot. Bonds4

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

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 106779284) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID106779284
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCNC1CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H22N2O2/c17-16(19)13-2-1-8-18-14(13)5-3-11-4-6-15-12(10-11)7-9-20-15/h4,6,10,13-14,18H,1-3,5,7-9H2,(H2,17,19)
InChIKeyJBRHYIQRQAAFES-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cycloheptane-1-carboxamide
CID 99633719
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 81008337
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 95935146
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
1-(4-aminocyclohexyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116557379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide (CID 106779284) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide is NC(=O)C1CCCNC1CCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is JBRHYIQRQAAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(19)13-2-1-8-18-14(13)5-3-11-4-6-15-12(10-11)7-9-20-15/h4,6,10,13-14,18H,1-3,5,7-9H2,(H2,17,19).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 106779284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).