1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C19H32N6O — CID 91789480

IUPAC1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCCn1c(CN2CCC(CN3CCCC3=O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C19H32N6O/c1-2-25-17(21-22-19(25)15-10-16(20)11-15)13-23-8-5-14(6-9-23)12-24-7-3-4-18(24)26/h14-16H,2-13,20H2,1H3
InChIKeyZVQNJBFTXBDDRL-UHFFFAOYSA-N
MW360.51 g/mol
LogP1.34
Rot. Bonds6

About 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91789480) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID91789480
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCCn1c(CN2CCC(CN3CCCC3=O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C19H32N6O/c1-2-25-17(21-22-19(25)15-10-16(20)11-15)13-23-8-5-14(6-9-23)12-24-7-3-4-18(24)26/h14-16H,2-13,20H2,1H3
InChIKeyZVQNJBFTXBDDRL-UHFFFAOYSA-N
XLogP1.34
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 91789480) is 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one is CCn1c(CN2CCC(CN3CCCC3=O)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is ZVQNJBFTXBDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-2-25-17(21-22-19(25)15-10-16(20)11-15)13-23-8-5-14(6-9-23)12-24-7-3-4-18(24)26/h14-16H,2-13,20H2,1H3.
What are the key properties of 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 360.51 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91789480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).