[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone

C13H21N5O — CID 54873325

IUPAC[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCn1cnnc1C1CCCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C13H21N5O/c1-17-9-15-16-12(17)10-4-3-7-18(8-10)13(19)11-5-2-6-14-11/h9-11,14H,2-8H2,1H3
InChIKeyGUDNPAQXNDAIPT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.27
Rot. Bonds2

About [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone

[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 54873325) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID54873325
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCn1cnnc1C1CCCN(C(=O)C2CCCN2)C1
InChIInChI=1S/C13H21N5O/c1-17-9-15-16-12(17)10-4-3-7-18(8-10)13(19)11-5-2-6-14-11/h9-11,14H,2-8H2,1H3
InChIKeyGUDNPAQXNDAIPT-UHFFFAOYSA-N
XLogP0.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone (CID 54873325) is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone is Cn1cnnc1C1CCCN(C(=O)C2CCCN2)C1.
What is the InChIKey of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is GUDNPAQXNDAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-9-15-16-12(17)10-4-3-7-18(8-10)13(19)11-5-2-6-14-11/h9-11,14H,2-8H2,1H3.
What are the key properties of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 54873325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).