2-amino-1-(3-methoxypiperidin-1-yl)ethanone

C8H16N2O2 — CID 66564450

IUPAC2-amino-1-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(C(=O)CN)C1
InChIInChI=1S/C8H16N2O2/c1-12-7-3-2-4-10(6-7)8(11)5-9/h7H,2-6,9H2,1H3
InChIKeyFDNWTRLTWKJAJP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

About 2-amino-1-(3-methoxypiperidin-1-yl)ethanone

2-amino-1-(3-methoxypiperidin-1-yl)ethanone (PubChem CID 66564450) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-1-(3-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-methoxypiperidin-1-yl)ethanone
PubChem CID66564450
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-1-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(C(=O)CN)C1
InChIInChI=1S/C8H16N2O2/c1-12-7-3-2-4-10(6-7)8(11)5-9/h7H,2-6,9H2,1H3
InChIKeyFDNWTRLTWKJAJP-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 102957596
1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 102957641
3-methoxypiperidine-1-carbothioamide
CID 102963097
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3-methoxypiperidin-1-yl)ethanone (CID 66564450) is 2-amino-1-(3-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-methoxypiperidin-1-yl)ethanone is COC1CCCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3-methoxypiperidin-1-yl)ethanone?
The InChIKey is FDNWTRLTWKJAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-7-3-2-4-10(6-7)8(11)5-9/h7H,2-6,9H2,1H3.
What are the key properties of 2-amino-1-(3-methoxypiperidin-1-yl)ethanone?
2-amino-1-(3-methoxypiperidin-1-yl)ethanone has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 66564450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).