1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C15H23N5O2 — CID 70779405

IUPAC1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC(n3cnnc3)CC2)CC1=O
InChIInChI=1S/C15H23N5O2/c1-11(2)20-8-12(7-14(20)21)15(22)18-5-3-13(4-6-18)19-9-16-17-10-19/h9-13H,3-8H2,1-2H3
InChIKeyIBSIODBWKLKXBQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.70
Rot. Bonds3

About 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70779405) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID70779405
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC(n3cnnc3)CC2)CC1=O
InChIInChI=1S/C15H23N5O2/c1-11(2)20-8-12(7-14(20)21)15(22)18-5-3-13(4-6-18)19-9-16-17-10-19/h9-13H,3-8H2,1-2H3
InChIKeyIBSIODBWKLKXBQ-UHFFFAOYSA-N
XLogP0.70
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 70779405) is 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCC(n3cnnc3)CC2)CC1=O.
What is the InChIKey of 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IBSIODBWKLKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(2)20-8-12(7-14(20)21)15(22)18-5-3-13(4-6-18)19-9-16-17-10-19/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70779405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).