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

C13H21N5O — CID 63006428

IUPAC[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCn1cnnc1C1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C13H21N5O/c1-17-9-15-16-12(17)11-3-2-6-18(8-11)13(19)10-4-5-14-7-10/h9-11,14H,2-8H2,1H3
InChIKeyAKSIVKPIRAANBN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.13
Rot. Bonds2

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

[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 63006428) 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-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID63006428
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-3-ylmethanone
SMILESCn1cnnc1C1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C13H21N5O/c1-17-9-15-16-12(17)11-3-2-6-18(8-11)13(19)10-4-5-14-7-10/h9-11,14H,2-8H2,1H3
InChIKeyAKSIVKPIRAANBN-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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-3-ylmethanone?
The IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 63006428) is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone is Cn1cnnc1C1CCCN(C(=O)C2CCNC2)C1.
What is the InChIKey of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is AKSIVKPIRAANBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-9-15-16-12(17)11-3-2-6-18(8-11)13(19)10-4-5-14-7-10/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-3-ylmethanone?
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 0.13, 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-3-ylmethanone is sourced from PubChem (CID 63006428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).