1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid

C15H21N3O4 — CID 122014852

IUPAC1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ncccc1CCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21N3O4/c1-22-13-11(3-2-7-16-13)4-8-17-15(21)18-9-5-12(6-10-18)14(19)20/h2-3,7,12H,4-6,8-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyYFIWTHWFDZLZIF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122014852) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122014852
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ncccc1CCNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H21N3O4/c1-22-13-11(3-2-7-16-13)4-8-17-15(21)18-9-5-12(6-10-18)14(19)20/h2-3,7,12H,4-6,8-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyYFIWTHWFDZLZIF-UHFFFAOYSA-N
XLogP1.14
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 136554718
1-[2-(2-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000455
1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122014882
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
4-[2-(2-methoxy-3-pyridinyl)ethylcarbamoylamino]butanoic acid
CID 122014854
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 80688595
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122008421
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 122014852) is 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid is COc1ncccc1CCNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is YFIWTHWFDZLZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-13-11(3-2-7-16-13)4-8-17-15(21)18-9-5-12(6-10-18)14(19)20/h2-3,7,12H,4-6,8-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122014852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).