(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone

C21H21NO3 — CID 71449869

IUPAC(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C21H21NO3/c1-14-19-17(24-16-10-12-22-13-11-16)8-5-9-18(19)25-21(14)20(23)15-6-3-2-4-7-15/h2-9,16,22H,10-13H2,1H3
InChIKeyILZUTSLPKACACR-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.10
Rot. Bonds4

About (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone

(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 71449869) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone
PubChem CID71449869
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C21H21NO3/c1-14-19-17(24-16-10-12-22-13-11-16)8-5-9-18(19)25-21(14)20(23)15-6-3-2-4-7-15/h2-9,16,22H,10-13H2,1H3
InChIKeyILZUTSLPKACACR-UHFFFAOYSA-N
XLogP4.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
CID 57229796
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
4-(1-benzofuran-4-yloxy)piperidine
CID 84682777
2-chloro-6-piperidin-4-yloxybenzamide
CID 62497560
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one
CID 10265259
benzyl 2-(2-piperidin-4-yloxyphenyl)acetate
CID 71586471
3-[(3-methyl-1-benzothiophen-4-yl)oxy]pyrrolidine
CID 84697002
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
3,4-dimethyl-2-piperidin-4-yloxybenzamide
CID 175125631

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone (CID 71449869) is (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)oc2cccc(OC3CCNCC3)c12.
What is the InChIKey of (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is ILZUTSLPKACACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-19-17(24-16-10-12-22-13-11-16)8-5-9-18(19)25-21(14)20(23)15-6-3-2-4-7-15/h2-9,16,22H,10-13H2,1H3.
What are the key properties of (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone?
(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 335.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 71449869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).