4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid

C15H20N2O3 — CID 106752604

IUPAC4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccnc(C)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-3-15(14(19)20)5-8-17(9-6-15)13(18)12-4-7-16-11(2)10-12/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyJRISDVRPXSWSQO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.11
Rot. Bonds3

About 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 106752604) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID106752604
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccnc(C)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-3-15(14(19)20)5-8-17(9-6-15)13(18)12-4-7-16-11(2)10-12/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyJRISDVRPXSWSQO-UHFFFAOYSA-N
XLogP2.11
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
4-ethyl-1-(4-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125324
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
1-(3-bromopyridine-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 107517094
[4-(2-bromoethyl)piperazin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106754168
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
1-(2-bromo-5-methylbenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 81110769
2-[4-(2-methylpyridine-4-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 106752588

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 106752604) is 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2ccnc(C)c2)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is JRISDVRPXSWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-15(14(19)20)5-8-17(9-6-15)13(18)12-4-7-16-11(2)10-12/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106752604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).