4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one

C19H32N6O2 — CID 91784199

IUPAC4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one
SMILESCOCCn1c(CN2CCN(C3CCCC3)C(=O)C2)nnc1C1CC(N)C1
InChIInChI=1S/C19H32N6O2/c1-27-9-8-25-17(21-22-19(25)14-10-15(20)11-14)12-23-6-7-24(18(26)13-23)16-4-2-3-5-16/h14-16H,2-13,20H2,1H3
InChIKeyAUSVHCQPTBPGDY-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.72
Rot. Bonds7

About 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one

4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one (PubChem CID 91784199) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one.

Molecular Properties

Compound Name4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one
PubChem CID91784199
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one
SMILESCOCCn1c(CN2CCN(C3CCCC3)C(=O)C2)nnc1C1CC(N)C1
InChIInChI=1S/C19H32N6O2/c1-27-9-8-25-17(21-22-19(25)14-10-15(20)11-14)12-23-6-7-24(18(26)13-23)16-4-2-3-5-16/h14-16H,2-13,20H2,1H3
InChIKeyAUSVHCQPTBPGDY-UHFFFAOYSA-N
XLogP0.72
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one with MolForge

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Related Compounds

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-cyclopentyl-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 72141730
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
4-(cyclobutylmethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]morpholine-3-carboxamide
CID 132971174
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one?
The IUPAC name of 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one (CID 91784199) is 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one.
What is the SMILES notation for 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one?
The canonical SMILES for 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one is COCCn1c(CN2CCN(C3CCCC3)C(=O)C2)nnc1C1CC(N)C1.
What is the InChIKey of 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one?
The InChIKey is AUSVHCQPTBPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-27-9-8-25-17(21-22-19(25)14-10-15(20)11-14)12-23-6-7-24(18(26)13-23)16-4-2-3-5-16/h14-16H,2-13,20H2,1H3.
What are the key properties of 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one?
4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one has a molecular weight of 376.51 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-cyclopentylpiperazin-2-one is sourced from PubChem (CID 91784199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).