1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile

C16H16N2O2 — CID 116837850

IUPAC1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile
SMILESN#CC1CCC(=O)N(CCc2coc3ccccc23)C1
InChIInChI=1S/C16H16N2O2/c17-9-12-5-6-16(19)18(10-12)8-7-13-11-20-15-4-2-1-3-14(13)15/h1-4,11-12H,5-8,10H2
InChIKeyCLFIVQUDNVXCGR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.74
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile

1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile (PubChem CID 116837850) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile
PubChem CID116837850
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile
SMILESN#CC1CCC(=O)N(CCc2coc3ccccc23)C1
InChIInChI=1S/C16H16N2O2/c17-9-12-5-6-16(19)18(10-12)8-7-13-11-20-15-4-2-1-3-14(13)15/h1-4,11-12H,5-8,10H2
InChIKeyCLFIVQUDNVXCGR-UHFFFAOYSA-N
XLogP2.74
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837830
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
1-[2-(2-bromophenoxy)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116820351
1-(3-methylbutyl)-6-oxopiperidine-3-carbonitrile
CID 116837809
1-[(2,4-dimethylphenyl)methyl]-6-oxopiperidine-3-carbonitrile
CID 116837935
N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 22390802
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
CID 116926610
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
CID 80702882
1-(2-aminoethyl)-4-(1-benzofuran-3-yl)imidazolidin-2-one
CID 116978219
1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
CID 116929257

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile (CID 116837850) is 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile is N#CC1CCC(=O)N(CCc2coc3ccccc23)C1.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile?
The InChIKey is CLFIVQUDNVXCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-9-12-5-6-16(19)18(10-12)8-7-13-11-20-15-4-2-1-3-14(13)15/h1-4,11-12H,5-8,10H2.
What are the key properties of 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile?
1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)ethyl]-6-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 116837850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).