1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone

C17H27N3O2 — CID 119644996

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
SMILESCCNCC1CCN(C(=O)CNc2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-18-12-14-8-10-20(11-9-14)17(21)13-19-15-6-4-5-7-16(15)22-2/h4-7,14,18-19H,3,8-13H2,1-2H3
InChIKeySXEBGBPBANBYNC-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.96
Rot. Bonds7

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone (PubChem CID 119644996) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
PubChem CID119644996
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
SMILESCCNCC1CCN(C(=O)CNc2ccccc2OC)CC1
InChIInChI=1S/C17H27N3O2/c1-3-18-12-14-8-10-20(11-9-14)17(21)13-19-15-6-4-5-7-16(15)22-2/h4-7,14,18-19H,3,8-13H2,1-2H3
InChIKeySXEBGBPBANBYNC-UHFFFAOYSA-N
XLogP1.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone (CID 119644996) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone is CCNCC1CCN(C(=O)CNc2ccccc2OC)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone?
The InChIKey is SXEBGBPBANBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-18-12-14-8-10-20(11-9-14)17(21)13-19-15-6-4-5-7-16(15)22-2/h4-7,14,18-19H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone has a molecular weight of 305.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone is sourced from PubChem (CID 119644996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).