1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone

C19H26N2O3 — CID 71927456

IUPAC1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCCC1CN(C(C)=O)CCC1NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C19H26N2O3/c1-4-14-12-21(13(2)22)9-8-17(14)20-11-16-10-15-6-5-7-18(23-3)19(15)24-16/h5-7,10,14,17,20H,4,8-9,11-12H2,1-3H3
InChIKeyGEJICIAOHZURHZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.18
Rot. Bonds5

About 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone

1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 71927456) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID71927456
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCCC1CN(C(C)=O)CCC1NCc1cc2cccc(OC)c2o1
InChIInChI=1S/C19H26N2O3/c1-4-14-12-21(13(2)22)9-8-17(14)20-11-16-10-15-6-5-7-18(23-3)19(15)24-16/h5-7,10,14,17,20H,4,8-9,11-12H2,1-3H3
InChIKeyGEJICIAOHZURHZ-UHFFFAOYSA-N
XLogP3.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S,4S)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097440
1-[(3R,4S)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]ethanone
CID 97097423
methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 95352052
1-[(3S,4S)-3-ethyl-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 97097336
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
1-[(3R,4R)-3-ethyl-4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethanone
CID 96996485
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
1-[(3R,4S)-4-[(5-bromothiophen-2-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097451
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43222617
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97221546
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 55684158

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone (CID 71927456) is 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone is CCC1CN(C(C)=O)CCC1NCc1cc2cccc(OC)c2o1.
What is the InChIKey of 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is GEJICIAOHZURHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-14-12-21(13(2)22)9-8-17(14)20-11-16-10-15-6-5-7-18(23-3)19(15)24-16/h5-7,10,14,17,20H,4,8-9,11-12H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone?
1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[(7-methoxy-1-benzofuran-2-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 71927456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).