1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone

C11H18N2O2 — CID 102957641

IUPAC1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCCC(OC)C1
InChIInChI=1S/C11H18N2O2/c1-3-6-12-8-11(14)13-7-4-5-10(9-13)15-2/h1,10,12H,4-9H2,2H3
InChIKeyAUDPJOHPLNYRDP-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.15
Rot. Bonds4

About 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone

1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 102957641) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID102957641
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCCC(OC)C1
InChIInChI=1S/C11H18N2O2/c1-3-6-12-8-11(14)13-7-4-5-10(9-13)15-2/h1,10,12H,4-9H2,2H3
InChIKeyAUDPJOHPLNYRDP-UHFFFAOYSA-N
XLogP-0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 102957596
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287387
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286675
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone (CID 102957641) is 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCCC(OC)C1.
What is the InChIKey of 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is AUDPJOHPLNYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-6-12-8-11(14)13-7-4-5-10(9-13)15-2/h1,10,12H,4-9H2,2H3.
What are the key properties of 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 210.28 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 102957641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).