5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid

C19H27N3O3 — CID 122106740

IUPAC5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(N3CC(C)CC(C(=O)O)C3)nc2)CC1
InChIInChI=1S/C19H27N3O3/c1-13-5-7-21(8-6-13)18(23)15-3-4-17(20-10-15)22-11-14(2)9-16(12-22)19(24)25/h3-4,10,13-14,16H,5-9,11-12H2,1-2H3,(H,24,25)
InChIKeyGWUJODUOTLCTTO-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.50
Rot. Bonds3

About 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid

5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 122106740) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID122106740
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(N3CC(C)CC(C(=O)O)C3)nc2)CC1
InChIInChI=1S/C19H27N3O3/c1-13-5-7-21(8-6-13)18(23)15-3-4-17(20-10-15)22-11-14(2)9-16(12-22)19(24)25/h3-4,10,13-14,16H,5-9,11-12H2,1-2H3,(H,24,25)
InChIKeyGWUJODUOTLCTTO-UHFFFAOYSA-N
XLogP2.50
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
[6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133344367
methyl 2-[4-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]acetate
CID 133333967
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[6-[3-(2-hydroxyethoxy)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133315243
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide
CID 133354738

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 122106740) is 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid is CC1CCN(C(=O)c2ccc(N3CC(C)CC(C(=O)O)C3)nc2)CC1.
What is the InChIKey of 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is GWUJODUOTLCTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-5-7-21(8-6-13)18(23)15-3-4-17(20-10-15)22-11-14(2)9-16(12-22)19(24)25/h3-4,10,13-14,16H,5-9,11-12H2,1-2H3,(H,24,25).
What are the key properties of 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid?
5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122106740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).