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

C15H25N5O — CID 56740291

IUPAC[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1ncnc1CN1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H25N5O/c1-2-20-14(16-12-17-20)11-18-7-5-6-13(10-18)15(21)19-8-3-4-9-19/h12-13H,2-11H2,1H3
InChIKeyUEHUURATJJVRMJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.13
Rot. Bonds4

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

[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56740291) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID56740291
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1ncnc1CN1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H25N5O/c1-2-20-14(16-12-17-20)11-18-7-5-6-13(10-18)15(21)19-8-3-4-9-19/h12-13H,2-11H2,1H3
InChIKeyUEHUURATJJVRMJ-UHFFFAOYSA-N
XLogP1.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 56740291) is [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CCn1ncnc1CN1CCCC(C(=O)N2CCCC2)C1.
What is the InChIKey of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UEHUURATJJVRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-20-14(16-12-17-20)11-18-7-5-6-13(10-18)15(21)19-8-3-4-9-19/h12-13H,2-11H2,1H3.
What are the key properties of [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 291.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56740291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).