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

C14H16N2O3 — CID 167868580

IUPAC1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)/C=C/c2ccccn2)C1
InChIInChI=1S/C14H16N2O3/c17-13(7-6-12-5-1-2-8-15-12)16-9-3-4-11(10-16)14(18)19/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)/b7-6+
InChIKeyPSUNPFJQZQXBGD-VOTSOKGWSA-N
MW260.29 g/mol
LogP1.42
Rot. Bonds3

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

1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid (PubChem CID 167868580) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
PubChem CID167868580
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)/C=C/c2ccccn2)C1
InChIInChI=1S/C14H16N2O3/c17-13(7-6-12-5-1-2-8-15-12)16-9-3-4-11(10-16)14(18)19/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)/b7-6+
InChIKeyPSUNPFJQZQXBGD-VOTSOKGWSA-N
XLogP1.42
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.42
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

(E)-3-pyridin-2-yl-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]prop-2-en-1-one
CID 45185730
(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 42532181
N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 103598850
1-[3-(2,6-difluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 126784688
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925353
1-[(E)-3-(2,3-difluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 141069304
1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 43355906
1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 78784791
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
(3S)-1-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925278
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid (CID 167868580) is 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)/C=C/c2ccccn2)C1.
What is the InChIKey of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid?
The InChIKey is PSUNPFJQZQXBGD-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(7-6-12-5-1-2-8-15-12)16-9-3-4-11(10-16)14(18)19/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)/b7-6+.
What are the key properties of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid?
1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 167868580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).