1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid

C12H20N2O3 — CID 43385844

IUPAC1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
SMILESC=CCNC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-3-6-13-11(15)9(2)14-7-4-10(5-8-14)12(16)17/h3,9-10H,1,4-8H2,2H3,(H,13,15)(H,16,17)
InChIKeyYIFPYQJPTNLFJP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.47
Rot. Bonds5

About 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid

1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 43385844) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID43385844
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
SMILESC=CCNC(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-3-6-13-11(15)9(2)14-7-4-10(5-8-14)12(16)17/h3,9-10H,1,4-8H2,2H3,(H,13,15)(H,16,17)
InChIKeyYIFPYQJPTNLFJP-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736

Frequently Asked Questions

What is the IUPAC name of 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid (CID 43385844) is 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid is C=CCNC(=O)C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is YIFPYQJPTNLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-6-13-11(15)9(2)14-7-4-10(5-8-14)12(16)17/h3,9-10H,1,4-8H2,2H3,(H,13,15)(H,16,17).
What are the key properties of 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid?
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43385844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).