2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C14H25N3O — CID 79280161

IUPAC2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESC=CCNCC(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H25N3O/c1-2-7-15-12-14(18)17-10-5-13(6-11-17)16-8-3-4-9-16/h2,13,15H,1,3-12H2
InChIKeyHSODXLDZXKKTBD-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.85
Rot. Bonds5

About 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 79280161) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID79280161
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESC=CCNCC(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C14H25N3O/c1-2-7-15-12-14(18)17-10-5-13(6-11-17)16-8-3-4-9-16/h2,13,15H,1,3-12H2
InChIKeyHSODXLDZXKKTBD-UHFFFAOYSA-N
XLogP0.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.85
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

1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79279608
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
1-(3,3-dimethylpiperidin-1-yl)-2-(prop-2-enylamino)ethanone
CID 79280233
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143060

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 79280161) is 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is C=CCNCC(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is HSODXLDZXKKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-7-15-12-14(18)17-10-5-13(6-11-17)16-8-3-4-9-16/h2,13,15H,1,3-12H2.
What are the key properties of 2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 0.85, 5 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-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 79280161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).