(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone

C16H19NO3 — CID 22733963

IUPAC(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCOc1ccc(C)c2cc(C(=O)N3CCCCC3)oc12
InChIInChI=1S/C16H19NO3/c1-11-6-7-13(19-2)15-12(11)10-14(20-15)16(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUZVONUMTSJFTRG-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.38
Rot. Bonds2

About (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone

(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 22733963) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
PubChem CID22733963
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCOc1ccc(C)c2cc(C(=O)N3CCCCC3)oc12
InChIInChI=1S/C16H19NO3/c1-11-6-7-13(19-2)15-12(11)10-14(20-15)16(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyUZVONUMTSJFTRG-UHFFFAOYSA-N
XLogP3.38
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone
CID 22734270
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 22734467
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 72864790
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 22733963) is (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is COc1ccc(C)c2cc(C(=O)N3CCCCC3)oc12.
What is the InChIKey of (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is UZVONUMTSJFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-6-7-13(19-2)15-12(11)10-14(20-15)16(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 273.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 22733963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).