2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide

C14H22N2O2 — CID 62656728

IUPAC2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H22N2O2/c1-3-7-16(8-4-2)14(18)11-15-9-5-6-13(10-15)12-17/h3-4,12-13H,1-2,5-11H2
InChIKeyXDHJSDYHNXGYNI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.10
Rot. Bonds7

About 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide

2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 62656728) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID62656728
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C14H22N2O2/c1-3-7-16(8-4-2)14(18)11-15-9-5-6-13(10-15)12-17/h3-4,12-13H,1-2,5-11H2
InChIKeyXDHJSDYHNXGYNI-UHFFFAOYSA-N
XLogP1.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
2-[3-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 62546166
1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 50983691
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
methyl (3S)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037821
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 62660462
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide
CID 81108069
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide (CID 62656728) is 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCCC(C=O)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is XDHJSDYHNXGYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-7-16(8-4-2)14(18)11-15-9-5-6-13(10-15)12-17/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 62656728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).