1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone

C15H29N3O — CID 79279608

IUPAC1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCC(CN(CC)CC)CC1
InChIInChI=1S/C15H29N3O/c1-4-9-16-12-15(19)18-10-7-14(8-11-18)13-17(5-2)6-3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyHBPHRHFJWARBDY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.34
Rot. Bonds8

About 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone

1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone (PubChem CID 79279608) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
PubChem CID79279608
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCC(CN(CC)CC)CC1
InChIInChI=1S/C15H29N3O/c1-4-9-16-12-15(19)18-10-7-14(8-11-18)13-17(5-2)6-3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyHBPHRHFJWARBDY-UHFFFAOYSA-N
XLogP1.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.34
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-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
2-(prop-2-enylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 79280161
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(prop-2-enylamino)ethanone
CID 79278808
5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 60951540
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
1-[3-(dimethylamino)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79280252
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 54874457
2-bromo-1-[4-(diethylaminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 54875819

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone (CID 79279608) is 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCC(CN(CC)CC)CC1.
What is the InChIKey of 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
The InChIKey is HBPHRHFJWARBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-9-16-12-15(19)18-10-7-14(8-11-18)13-17(5-2)6-3/h4,14,16H,1,5-13H2,2-3H3.
What are the key properties of 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone?
1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 79279608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).