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

C16H24N2O3 — CID 43747536

IUPAC2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-20-12-16(19)18-9-7-14(8-10-18)17-11-13-3-5-15(21-2)6-4-13/h3-6,14,17H,7-12H2,1-2H3
InChIKeyVMWIISSQKKFKBE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds6

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

2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43747536) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID43747536
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-20-12-16(19)18-9-7-14(8-10-18)17-11-13-3-5-15(21-2)6-4-13/h3-6,14,17H,7-12H2,1-2H3
InChIKeyVMWIISSQKKFKBE-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861378
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
1-[4-[(3-chloro-5-fluorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 114452598
2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
1-[4-[(5-iodofuran-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791424
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone (CID 43747536) is 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is VMWIISSQKKFKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-12-16(19)18-9-7-14(8-10-18)17-11-13-3-5-15(21-2)6-4-13/h3-6,14,17H,7-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43747536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).