2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide

C12H20N2O2 — CID 62655712

IUPAC2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCCC1C=O
InChIInChI=1S/C12H20N2O2/c1-3-7-13-12(16)10(2)14-8-5-4-6-11(14)9-15/h3,9-11H,1,4-8H2,2H3,(H,13,16)
InChIKeyGYZJWKYHIINQFU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.73
Rot. Bonds5

About 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide

2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 62655712) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
PubChem CID62655712
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCCC1C=O
InChIInChI=1S/C12H20N2O2/c1-3-7-13-12(16)10(2)14-8-5-4-6-11(14)9-15/h3,9-11H,1,4-8H2,2H3,(H,13,16)
InChIKeyGYZJWKYHIINQFU-UHFFFAOYSA-N
XLogP0.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-(2-formylpiperidin-1-yl)propanamide
CID 62655889
1-but-3-en-2-ylpiperidine-2-carbaldehyde
CID 62654784
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide (CID 62655712) is 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCCCC1C=O.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is GYZJWKYHIINQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-7-13-12(16)10(2)14-8-5-4-6-11(14)9-15/h3,9-11H,1,4-8H2,2H3,(H,13,16).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide?
2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 224.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 62655712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).