1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone

C21H24N2O3 — CID 110828646

IUPAC1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
SMILESO=C(CNCC(c1ccco1)N1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O3/c24-18(21-13-16-7-2-3-8-19(16)26-21)15-22-14-17(20-9-6-12-25-20)23-10-4-1-5-11-23/h2-3,6-9,12-13,17,22H,1,4-5,10-11,14-15H2
InChIKeyNEWFVDFYOOVIIH-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.03
Rot. Bonds7

About 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone

1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone (PubChem CID 110828646) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
PubChem CID110828646
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
SMILESO=C(CNCC(c1ccco1)N1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O3/c24-18(21-13-16-7-2-3-8-19(16)26-21)15-22-14-17(20-9-6-12-25-20)23-10-4-1-5-11-23/h2-3,6-9,12-13,17,22H,1,4-5,10-11,14-15H2
InChIKeyNEWFVDFYOOVIIH-UHFFFAOYSA-N
XLogP4.03
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone with MolForge

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26834088
2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828098
1-[2-(1-benzofuran-2-yl)ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111771548
4-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030017
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 8005581
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
(1S)-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-phenylethanol
CID 2106497
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
CID 81172062

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone (CID 110828646) is 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone is O=C(CNCC(c1ccco1)N1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone?
The InChIKey is NEWFVDFYOOVIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-18(21-13-16-7-2-3-8-19(16)26-21)15-22-14-17(20-9-6-12-25-20)23-10-4-1-5-11-23/h2-3,6-9,12-13,17,22H,1,4-5,10-11,14-15H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone?
1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone has a molecular weight of 352.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone is sourced from PubChem (CID 110828646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).