4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid

C15H20N2O3 — CID 114421990

IUPAC4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCc2cccnc2)C(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-11-6-8-17(13(9-11)15(19)20)14(18)5-4-12-3-2-7-16-10-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3,(H,19,20)
InChIKeyKFFRDOFZJVIONK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.73
Rot. Bonds4

About 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid

4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 114421990) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
PubChem CID114421990
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCc2cccnc2)C(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-11-6-8-17(13(9-11)15(19)20)14(18)5-4-12-3-2-7-16-10-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3,(H,19,20)
InChIKeyKFFRDOFZJVIONK-UHFFFAOYSA-N
XLogP1.73
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 50975830
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
1-[3-(3-bromophenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421829
4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425608
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid (CID 114421990) is 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)CCc2cccnc2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is KFFRDOFZJVIONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-6-8-17(13(9-11)15(19)20)14(18)5-4-12-3-2-7-16-10-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3,(H,19,20).
What are the key properties of 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid?
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114421990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).