2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone

C15H21NO3 — CID 110479220

IUPAC2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H21NO3/c1-18-11-15(17)16-8-6-12(7-9-16)13-4-3-5-14(10-13)19-2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyRCELSZXPVOFNMJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds4

About 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone

2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone (PubChem CID 110479220) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
PubChem CID110479220
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H21NO3/c1-18-11-15(17)16-8-6-12(7-9-16)13-4-3-5-14(10-13)19-2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyRCELSZXPVOFNMJ-UHFFFAOYSA-N
XLogP2.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 146122949
4-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 139022313

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone (CID 110479220) is 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2cccc(OC)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is RCELSZXPVOFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-11-15(17)16-8-6-12(7-9-16)13-4-3-5-14(10-13)19-2/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110479220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).