1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone

C12H20N2O — CID 79286950

IUPAC1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(CC)CC1
InChIInChI=1S/C12H20N2O/c1-3-7-13-10-12(15)14-8-5-11(4-2)6-9-14/h1,11,13H,4-10H2,2H3
InChIKeyURASIQJQNOVKRT-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.86
Rot. Bonds4

About 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone

1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 79286950) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID79286950
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(CC)CC1
InChIInChI=1S/C12H20N2O/c1-3-7-13-10-12(15)14-8-5-11(4-2)6-9-14/h1,11,13H,4-10H2,2H3
InChIKeyURASIQJQNOVKRT-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287587
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287387
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(4-ethylpiperidin-1-yl)hex-5-yn-1-one
CID 89040804
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286410
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286675
1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286776
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
1-(4-phenoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79287472
4-ethyl-1-[2-(prop-2-ynylamino)acetyl]piperidine-4-carboxylic acid
CID 79272527
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
1-(3-methoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 102957641

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone (CID 79286950) is 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is URASIQJQNOVKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-7-13-10-12(15)14-8-5-11(4-2)6-9-14/h1,11,13H,4-10H2,2H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 208.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 79286950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).