4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

C14H19N3O3 — CID 79043834

IUPAC4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ncccc1NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-10-11(4-3-7-15-10)16-13(20)17-8-5-14(2,6-9-17)12(18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMGCLFJQTRVOAJL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 79043834) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID79043834
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ncccc1NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-10-11(4-3-7-15-10)16-13(20)17-8-5-14(2,6-9-17)12(18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMGCLFJQTRVOAJL-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606453
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79043144
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124108
3-methyl-N-(2-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 79043969
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (CID 79043834) is 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is Cc1ncccc1NC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is MGCLFJQTRVOAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-11(4-3-7-15-10)16-13(20)17-8-5-14(2,6-9-17)12(18)19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 79043834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).