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

C15H22N2O2 — CID 110460440

IUPAC1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-16-11-15(18)17-8-6-12(7-9-17)13-4-3-5-14(10-13)19-2/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyLULAURFHGAYNRX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds4

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

1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 110460440) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID110460440
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-16-11-15(18)17-8-6-12(7-9-17)13-4-3-5-14(10-13)19-2/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyLULAURFHGAYNRX-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
4-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 139022313
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
2-amino-1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120791142
4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 146122949
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone (CID 110460440) is 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is LULAURFHGAYNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-11-15(18)17-8-6-12(7-9-17)13-4-3-5-14(10-13)19-2/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 110460440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).