1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C16H25N5O3 — CID 45190554

IUPAC1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(O)c1cn(CC2CCN(C(=O)CN3CCCC3=O)CC2)nn1
InChIInChI=1S/C16H25N5O3/c1-12(22)14-10-21(18-17-14)9-13-4-7-19(8-5-13)16(24)11-20-6-2-3-15(20)23/h10,12-13,22H,2-9,11H2,1H3
InChIKeyUAZPFKABJYBAQQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.19
Rot. Bonds5

About 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 45190554) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID45190554
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC(O)c1cn(CC2CCN(C(=O)CN3CCCC3=O)CC2)nn1
InChIInChI=1S/C16H25N5O3/c1-12(22)14-10-21(18-17-14)9-13-4-7-19(8-5-13)16(24)11-20-6-2-3-15(20)23/h10,12-13,22H,2-9,11H2,1H3
InChIKeyUAZPFKABJYBAQQ-UHFFFAOYSA-N
XLogP0.19
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 45190554) is 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is CC(O)c1cn(CC2CCN(C(=O)CN3CCCC3=O)CC2)nn1.
What is the InChIKey of 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is UAZPFKABJYBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12(22)14-10-21(18-17-14)9-13-4-7-19(8-5-13)16(24)11-20-6-2-3-15(20)23/h10,12-13,22H,2-9,11H2,1H3.
What are the key properties of 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 45190554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).