1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid

C10H14N4O3 — CID 110461894

IUPAC1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(C(=O)O)CC2)nn1
InChIInChI=1S/C10H14N4O3/c1-13-6-8(11-12-13)9(15)14-4-2-7(3-5-14)10(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyMOIITOINNMFUNE-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.25
Rot. Bonds2

About 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid

1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 110461894) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID110461894
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(C(=O)O)CC2)nn1
InChIInChI=1S/C10H14N4O3/c1-13-6-8(11-12-13)9(15)14-4-2-7(3-5-14)10(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyMOIITOINNMFUNE-UHFFFAOYSA-N
XLogP-0.25
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
(1-methyltriazol-4-yl)-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 90629466
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122336407
1-[1-(3-methylbutyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354717

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid (CID 110461894) is 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid is Cn1cc(C(=O)N2CCC(C(=O)O)CC2)nn1.
What is the InChIKey of 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is MOIITOINNMFUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13-6-8(11-12-13)9(15)14-4-2-7(3-5-14)10(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid?
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 110461894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).