1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid

C15H21N3O5 — CID 122014882

IUPAC1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)c(OC)n1
InChIInChI=1S/C15H21N3O5/c1-22-12-4-3-11(13(17-12)23-2)9-16-15(21)18-7-5-10(6-8-18)14(19)20/h3-4,10H,5-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyIBOSUDLSTAATGC-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.11
Rot. Bonds5

About 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122014882) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122014882
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)c(OC)n1
InChIInChI=1S/C15H21N3O5/c1-22-12-4-3-11(13(17-12)23-2)9-16-15(21)18-7-5-10(6-8-18)14(19)20/h3-4,10H,5-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyIBOSUDLSTAATGC-UHFFFAOYSA-N
XLogP1.11
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122014852
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
1-[[2-(3-methoxypropoxy)-4-methylphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005892
N-[(2-methoxyquinolin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 155949082
1-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016251
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106005646
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
1-[(2-phenylsulfanylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001277
1-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004545

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122014882) is 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid is COc1ccc(CNC(=O)N2CCC(C(=O)O)CC2)c(OC)n1.
What is the InChIKey of 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IBOSUDLSTAATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-22-12-4-3-11(13(17-12)23-2)9-16-15(21)18-7-5-10(6-8-18)14(19)20/h3-4,10H,5-9H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122014882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).