1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone

C15H22N2O3 — CID 119378361

IUPAC1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCCC(N)C1
InChIInChI=1S/C15H22N2O3/c1-2-19-13-7-3-4-8-14(13)20-11-15(18)17-9-5-6-12(16)10-17/h3-4,7-8,12H,2,5-6,9-11,16H2,1H3
InChIKeyPTRSDGNLVNVLFI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone

1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone (PubChem CID 119378361) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
PubChem CID119378361
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCCC(N)C1
InChIInChI=1S/C15H22N2O3/c1-2-19-13-7-3-4-8-14(13)20-11-15(18)17-9-5-6-12(16)10-17/h3-4,7-8,12H,2,5-6,9-11,16H2,1H3
InChIKeyPTRSDGNLVNVLFI-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
1-[(3S)-3-aminopiperidin-1-yl]-2-[2-[(2S)-butan-2-yl]phenoxy]ethanone
CID 124628217
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
1-(3-aminopiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 119379609
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64603134
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108544654

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone (CID 119378361) is 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone is CCOc1ccccc1OCC(=O)N1CCCC(N)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
The InChIKey is PTRSDGNLVNVLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-13-7-3-4-8-14(13)20-11-15(18)17-9-5-6-12(16)10-17/h3-4,7-8,12H,2,5-6,9-11,16H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone?
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone is sourced from PubChem (CID 119378361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).