1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

C13H16ClN3O3 — CID 122094088

IUPAC1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cc(Cl)cnc1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H16ClN3O3/c1-8-6-10(14)7-15-11(8)16-13(20)17-4-2-9(3-5-17)12(18)19/h6-7,9H,2-5H2,1H3,(H,18,19)(H,15,16,20)
InChIKeyWYAZMVVYPCEETQ-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.37
Rot. Bonds2

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

1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122094088) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122094088
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cc(Cl)cnc1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H16ClN3O3/c1-8-6-10(14)7-15-11(8)16-13(20)17-4-2-9(3-5-17)12(18)19/h6-7,9H,2-5H2,1H3,(H,18,19)(H,15,16,20)
InChIKeyWYAZMVVYPCEETQ-UHFFFAOYSA-N
XLogP2.37
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090037
4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132530
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 41296971
N-(5-chloro-3-methyl-2-pyridinyl)-2-(methylamino)acetamide
CID 130603867
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
1-[(5-chloro-4-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094446
1-[(5-methoxycarbonyl-2,4-dimethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122091208

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (CID 122094088) is 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is Cc1cc(Cl)cnc1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is WYAZMVVYPCEETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-8-6-10(14)7-15-11(8)16-13(20)17-4-2-9(3-5-17)12(18)19/h6-7,9H,2-5H2,1H3,(H,18,19)(H,15,16,20).
What are the key properties of 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122094088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).