3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid

C15H21N3O3 — CID 114701416

IUPAC3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-11-8-16-6-4-12(11)9-17-14(21)18-7-3-5-15(2,10-18)13(19)20/h4,6,8H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMBSCEMVLVUCJFL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 114701416) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID114701416
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cnccc1CNC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-11-8-16-6-4-12(11)9-17-14(21)18-7-3-5-15(2,10-18)13(19)20/h4,6,8H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMBSCEMVLVUCJFL-UHFFFAOYSA-N
XLogP1.79
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 114701416) is 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid is Cc1cnccc1CNC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MBSCEMVLVUCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-8-16-6-4-12(11)9-17-14(21)18-7-3-5-15(2,10-18)13(19)20/h4,6,8H,3,5,7,9-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 114701416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).