1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid

C15H19N3O3 — CID 120964835

IUPAC1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESC=CCNC(=O)c1ccc(N2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C15H19N3O3/c1-2-7-16-14(19)11-5-6-13(17-9-11)18-8-3-4-12(10-18)15(20)21/h2,5-6,9,12H,1,3-4,7-8,10H2,(H,16,19)(H,20,21)
InChIKeyMPYHSIIETWUABV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.30
Rot. Bonds5

About 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid

1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 120964835) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID120964835
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESC=CCNC(=O)c1ccc(N2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C15H19N3O3/c1-2-7-16-14(19)11-5-6-13(17-9-11)18-8-3-4-12(10-18)15(20)21/h2,5-6,9,12H,1,3-4,7-8,10H2,(H,16,19)(H,20,21)
InChIKeyMPYHSIIETWUABV-UHFFFAOYSA-N
XLogP1.30
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133314215
6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133307551
1-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 46397117
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133479539
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133327677
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133465543
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214

Frequently Asked Questions

What is the IUPAC name of 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 120964835) is 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid is C=CCNC(=O)c1ccc(N2CCCC(C(=O)O)C2)nc1.
What is the InChIKey of 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is MPYHSIIETWUABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-7-16-14(19)11-5-6-13(17-9-11)18-8-3-4-12(10-18)15(20)21/h2,5-6,9,12H,1,3-4,7-8,10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120964835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).