2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C14H25N3O — CID 62546166

IUPAC2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCC(NC)C1
InChIInChI=1S/C14H25N3O/c1-4-8-17(9-5-2)14(18)12-16-10-6-7-13(11-16)15-3/h4-5,13,15H,1-2,6-12H2,3H3
InChIKeyZTKJEYPQNRDZLI-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.87
Rot. Bonds7

About 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 62546166) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID62546166
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCC(NC)C1
InChIInChI=1S/C14H25N3O/c1-4-8-17(9-5-2)14(18)12-16-10-6-7-13(11-16)15-3/h4-5,13,15H,1-2,6-12H2,3H3
InChIKeyZTKJEYPQNRDZLI-UHFFFAOYSA-N
XLogP0.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037821
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119918382
N-cyclopropyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546013
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 124749240
2-[2-(methylaminomethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 63250212
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 112630380
2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 50974093

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 62546166) is 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCCC(NC)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is ZTKJEYPQNRDZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-8-17(9-5-2)14(18)12-16-10-6-7-13(11-16)15-3/h4-5,13,15H,1-2,6-12H2,3H3.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 62546166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).