1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

C14H19N3O4 — CID 122090037

IUPAC1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C)nc1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-9-3-4-11(21-2)12(15-9)16-14(20)17-7-5-10(6-8-17)13(18)19/h3-4,10H,5-8H2,1-2H3,(H,18,19)(H,15,16,20)
InChIKeySPXXVTPDMMHRHR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.73
Rot. Bonds3

About 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122090037) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122090037
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(C)nc1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-9-3-4-11(21-2)12(15-9)16-14(20)17-7-5-10(6-8-17)13(18)19/h3-4,10H,5-8H2,1-2H3,(H,18,19)(H,15,16,20)
InChIKeySPXXVTPDMMHRHR-UHFFFAOYSA-N
XLogP1.73
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122090034
N-(3-methoxy-6-methyl-2-pyridinyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 154780813
N-(3-methoxy-6-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 128621329
N-(3-methoxy-6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 127901681
1-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090112
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078081
1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122077474
1-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090841
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122094088
1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193637

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (CID 122090037) is 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is COc1ccc(C)nc1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is SPXXVTPDMMHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-3-4-11(21-2)12(15-9)16-14(20)17-7-5-10(6-8-17)13(18)19/h3-4,10H,5-8H2,1-2H3,(H,18,19)(H,15,16,20).
What are the key properties of 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122090037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).