N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C18H32N6O2 — CID 91770504

IUPACN-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCOCCN1CCN(Cc2nnc(C3CC(NC(C)=O)C3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-4-26-10-9-23-5-7-24(8-6-23)13-17-20-21-18(22(17)3)15-11-16(12-15)19-14(2)25/h15-16H,4-13H2,1-3H3,(H,19,25)
InChIKeyWTHJLKWIBCFVMI-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.35
Rot. Bonds8

About N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91770504) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91770504
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCOCCN1CCN(Cc2nnc(C3CC(NC(C)=O)C3)n2C)CC1
InChIInChI=1S/C18H32N6O2/c1-4-26-10-9-23-5-7-24(8-6-23)13-17-20-21-18(22(17)3)15-11-16(12-15)19-14(2)25/h15-16H,4-13H2,1-3H3,(H,19,25)
InChIKeyWTHJLKWIBCFVMI-UHFFFAOYSA-N
XLogP0.35
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
N-ethyl-N-methyl-2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethanamine
CID 70775487
N-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697
N-(2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethyl)urea
CID 70712514
[trans-3-(4-ethyl-5-{[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91759670
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-3-ethylpyrazin-2(1H)-one
CID 91760477
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylimidazolidine-2,4-dione
CID 91766554
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
[trans-3-(4-methyl-5-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91792047
2-{[5-(trans-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 91794321
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91770504) is N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CCOCCN1CCN(Cc2nnc(C3CC(NC(C)=O)C3)n2C)CC1.
What is the InChIKey of N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is WTHJLKWIBCFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-4-26-10-9-23-5-7-24(8-6-23)13-17-20-21-18(22(17)3)15-11-16(12-15)19-14(2)25/h15-16H,4-13H2,1-3H3,(H,19,25).
What are the key properties of N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91770504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).