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

C13H21N5O — CID 56875433

IUPAC1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCN(CCn2cncn2)C1
InChIInChI=1S/C13H21N5O/c19-13-4-2-6-18(13)12-3-1-5-16(9-12)7-8-17-11-14-10-15-17/h10-12H,1-9H2
InChIKeyQIDUYNSSJWEOPE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.36
Rot. Bonds4

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

1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 56875433) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID56875433
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCCN(CCn2cncn2)C1
InChIInChI=1S/C13H21N5O/c19-13-4-2-6-18(13)12-3-1-5-16(9-12)7-8-17-11-14-10-15-17/h10-12H,1-9H2
InChIKeyQIDUYNSSJWEOPE-UHFFFAOYSA-N
XLogP0.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one (CID 56875433) is 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one is O=C1CCCN1C1CCCN(CCn2cncn2)C1.
What is the InChIKey of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is QIDUYNSSJWEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13-4-2-6-18(13)12-3-1-5-16(9-12)7-8-17-11-14-10-15-17/h10-12H,1-9H2.
What are the key properties of 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 56875433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).