2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

C15H21NO4 — CID 70724680

IUPAC2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H21NO4/c1-18-11-15(17)16-9-7-14(8-10-16)20-13-5-3-12(19-2)4-6-13/h3-6,14H,7-11H2,1-2H3
InChIKeyGZFUMXCPGICQOB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds5

About 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (PubChem CID 70724680) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
PubChem CID70724680
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H21NO4/c1-18-11-15(17)16-9-7-14(8-10-16)20-13-5-3-12(19-2)4-6-13/h3-6,14H,7-11H2,1-2H3
InChIKeyGZFUMXCPGICQOB-UHFFFAOYSA-N
XLogP1.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 154897114
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43747536
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
CID 70756480
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (CID 70724680) is 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is COCC(=O)N1CCC(Oc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The InChIKey is GZFUMXCPGICQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-11-15(17)16-9-7-14(8-10-16)20-13-5-3-12(19-2)4-6-13/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70724680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).