4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one

C15H27N5O3 — CID 56704302

IUPAC4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)CN(C)CCOC)CC2)n[nH]c1=O
InChIInChI=1S/C15H27N5O3/c1-4-20-14(16-17-15(20)22)12-5-7-19(8-6-12)13(21)11-18(2)9-10-23-3/h12H,4-11H2,1-3H3,(H,17,22)
InChIKeyKODABZIJMADDJY-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.12
Rot. Bonds7

About 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 56704302) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID56704302
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Name4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)CN(C)CCOC)CC2)n[nH]c1=O
InChIInChI=1S/C15H27N5O3/c1-4-20-14(16-17-15(20)22)12-5-7-19(8-6-12)13(21)11-18(2)9-10-23-3/h12H,4-11H2,1-3H3,(H,17,22)
InChIKeyKODABZIJMADDJY-UHFFFAOYSA-N
XLogP-0.12
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 56704302) is 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCN(C(=O)CN(C)CCOC)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is KODABZIJMADDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-4-20-14(16-17-15(20)22)12-5-7-19(8-6-12)13(21)11-18(2)9-10-23-3/h12H,4-11H2,1-3H3,(H,17,22).
What are the key properties of 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 325.41 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-[2-[2-methoxyethyl(methyl)amino]acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 56704302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).