1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid

C15H21N3O3 — CID 114421473

IUPAC1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccnc(N(C)C)c2)C(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-7-18(12(8-10)15(20)21)14(19)11-4-6-16-13(9-11)17(2)3/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,20,21)
InChIKeyFFQLNIOOYUMVDM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid

1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421473) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114421473
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccnc(N(C)C)c2)C(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-7-18(12(8-10)15(20)21)14(19)11-4-6-16-13(9-11)17(2)3/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,20,21)
InChIKeyFFQLNIOOYUMVDM-UHFFFAOYSA-N
XLogP1.47
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714936
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421792
[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95765348
[2-(dimethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764357
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421987
[2-(dimethylamino)-4-pyridinyl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472375
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid (CID 114421473) is 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)c2ccnc(N(C)C)c2)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is FFQLNIOOYUMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-7-18(12(8-10)15(20)21)14(19)11-4-6-16-13(9-11)17(2)3/h4,6,9-10,12H,5,7-8H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).