(1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

C13H21N5O — CID 121150901

IUPAC(1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC(C(=O)N2CCC(n3ccnn3)C2)CC1
InChIInChI=1S/C13H21N5O/c1-16-6-2-11(3-7-16)13(19)17-8-4-12(10-17)18-9-5-14-15-18/h5,9,11-12H,2-4,6-8,10H2,1H3
InChIKeyJSPDUFKGEORRHU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.39
Rot. Bonds2

About (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

(1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150901) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150901
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC(C(=O)N2CCC(n3ccnn3)C2)CC1
InChIInChI=1S/C13H21N5O/c1-16-6-2-11(3-7-16)13(19)17-8-4-12(10-17)18-9-5-14-15-18/h5,9,11-12H,2-4,6-8,10H2,1H3
InChIKeyJSPDUFKGEORRHU-UHFFFAOYSA-N
XLogP0.39
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150901) is (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is CN1CCC(C(=O)N2CCC(n3ccnn3)C2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JSPDUFKGEORRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-16-6-2-11(3-7-16)13(19)17-8-4-12(10-17)18-9-5-14-15-18/h5,9,11-12H,2-4,6-8,10H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
(1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).