(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone

C23H25NO4 — CID 86971286

IUPAC(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCCC(COc3ccccc3)C1)=C2
InChIInChI=1S/C23H25NO4/c1-26-21-11-5-8-18-13-19(16-28-22(18)21)23(25)24-12-6-7-17(14-24)15-27-20-9-3-2-4-10-20/h2-5,8-11,13,17H,6-7,12,14-16H2,1H3
InChIKeyJKRZPORGDREHRV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.79
Rot. Bonds5

About (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone

(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 86971286) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID86971286
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCCC(COc3ccccc3)C1)=C2
InChIInChI=1S/C23H25NO4/c1-26-21-11-5-8-18-13-19(16-28-22(18)21)23(25)24-12-6-7-17(14-24)15-27-20-9-3-2-4-10-20/h2-5,8-11,13,17H,6-7,12,14-16H2,1H3
InChIKeyJKRZPORGDREHRV-UHFFFAOYSA-N
XLogP3.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119483721
(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95308857
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119434852
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 86971286) is (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone is COc1cccc2c1OCC(C(=O)N1CCCC(COc3ccccc3)C1)=C2.
What is the InChIKey of (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is JKRZPORGDREHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-21-11-5-8-18-13-19(16-28-22(18)21)23(25)24-12-6-7-17(14-24)15-27-20-9-3-2-4-10-20/h2-5,8-11,13,17H,6-7,12,14-16H2,1H3.
What are the key properties of (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone?
(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 86971286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).