2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone

C13H24N2O2 — CID 79278895

IUPAC2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
SMILESC=CCNCC(=O)N1CCCC(OCCC)C1
InChIInChI=1S/C13H24N2O2/c1-3-7-14-10-13(16)15-8-5-6-12(11-15)17-9-4-2/h3,12,14H,1,4-11H2,2H3
InChIKeyOOEMTHQTCYSVBR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds7

About 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone

2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone (PubChem CID 79278895) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
PubChem CID79278895
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
SMILESC=CCNCC(=O)N1CCCC(OCCC)C1
InChIInChI=1S/C13H24N2O2/c1-3-7-14-10-13(16)15-8-5-6-12(11-15)17-9-4-2/h3,12,14H,1,4-11H2,2H3
InChIKeyOOEMTHQTCYSVBR-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
5-chloro-1-(3-propoxypiperidin-1-yl)pentan-1-one
CID 61169567
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone (CID 79278895) is 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone is C=CCNCC(=O)N1CCCC(OCCC)C1.
What is the InChIKey of 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
The InChIKey is OOEMTHQTCYSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-7-14-10-13(16)15-8-5-6-12(11-15)17-9-4-2/h3,12,14H,1,4-11H2,2H3.
What are the key properties of 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone?
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 79278895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).