2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid

C15H18N2O3 — CID 106741747

IUPAC2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)/C=C/c1cccnc1
InChIInChI=1S/C15H18N2O3/c1-11-9-13(15(19)20)6-8-17(11)14(18)5-4-12-3-2-7-16-10-12/h2-5,7,10-11,13H,6,8-9H2,1H3,(H,19,20)/b5-4+
InChIKeyOGAWQHUABVGFBA-SNAWJCMRSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid

2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid (PubChem CID 106741747) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
PubChem CID106741747
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)/C=C/c1cccnc1
InChIInChI=1S/C15H18N2O3/c1-11-9-13(15(19)20)6-8-17(11)14(18)5-4-12-3-2-7-16-10-12/h2-5,7,10-11,13H,6,8-9H2,1H3,(H,19,20)/b5-4+
InChIKeyOGAWQHUABVGFBA-SNAWJCMRSA-N
XLogP1.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
1-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742117
1-(3-methyl-2-phenylazetidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 71993670
(2S,4R)-4-hydroxy-1-(3-pyridin-3-ylprop-2-enoyl)pyrrolidine-2-carboxylic acid
CID 78952447
(E)-1-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 75407811
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 103900724
(3S)-4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylic acid
CID 124513568
3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
CID 76937492
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 61411290
1-[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742138
(E)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 81218755

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid (CID 106741747) is 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)/C=C/c1cccnc1.
What is the InChIKey of 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid?
The InChIKey is OGAWQHUABVGFBA-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-9-13(15(19)20)6-8-17(11)14(18)5-4-12-3-2-7-16-10-12/h2-5,7,10-11,13H,6,8-9H2,1H3,(H,19,20)/b5-4+.
What are the key properties of 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid?
2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106741747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).