4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one

C16H25N5O3 — CID 50985316

IUPAC4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)CCN3CCCC3=O)CC2)n[nH]c1=O
InChIInChI=1S/C16H25N5O3/c1-2-21-15(17-18-16(21)24)12-5-9-20(10-6-12)14(23)7-11-19-8-3-4-13(19)22/h12H,2-11H2,1H3,(H,18,24)
InChIKeyZLRFVCRXSQLIDG-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.31
Rot. Bonds5

About 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 50985316) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID50985316
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)CCN3CCCC3=O)CC2)n[nH]c1=O
InChIInChI=1S/C16H25N5O3/c1-2-21-15(17-18-16(21)24)12-5-9-20(10-6-12)14(23)7-11-19-8-3-4-13(19)22/h12H,2-11H2,1H3,(H,18,24)
InChIKeyZLRFVCRXSQLIDG-UHFFFAOYSA-N
XLogP0.31
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

4-ethyl-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95129049
4-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50966099
4-ethyl-5-[1-(3-isoxazolidin-2-ylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50977917
4-ethyl-2-methyl-5-{[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56703835
4-ethyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(3-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56723350
4-ethyl-5-{1-[(1-isobutyl-5-oxopyrrolidin-3-yl)carbonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56759151
3-[2-(4-Acetylpiperidin-1-yl)-2-oxoethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136093708
4-ethyl-2-[2-(2-oxo-1-pyrrolidinyl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50958883
4-ethyl-5-(1-hexanoylpiperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56750848
4-ethyl-3-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95129048
4-ethyl-3-[(3S)-1-hexanoylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95205068
4-ethyl-3-[(3R)-1-hexanoylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95205070

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 50985316) is 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCN(C(=O)CCN3CCCC3=O)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is ZLRFVCRXSQLIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-21-15(17-18-16(21)24)12-5-9-20(10-6-12)14(23)7-11-19-8-3-4-13(19)22/h12H,2-11H2,1H3,(H,18,24).
What are the key properties of 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 335.41 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50985316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).