N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide

C18H32N6O2 — CID 91766906

IUPACN-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCOCCn1c(CN2CCC(CNC(C)=O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C18H32N6O2/c1-13(25)20-11-14-3-5-23(6-4-14)12-17-21-22-18(15-9-16(19)10-15)24(17)7-8-26-2/h14-16H,3-12,19H2,1-2H3,(H,20,25)
InChIKeyWOJSGCPCBDHOSL-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.48
Rot. Bonds8

About N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide

N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 91766906) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide
PubChem CID91766906
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide
SMILESCOCCn1c(CN2CCC(CNC(C)=O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C18H32N6O2/c1-13(25)20-11-14-3-5-23(6-4-14)12-17-21-22-18(15-9-16(19)10-15)24(17)7-8-26-2/h14-16H,3-12,19H2,1-2H3,(H,20,25)
InChIKeyWOJSGCPCBDHOSL-UHFFFAOYSA-N
XLogP0.48
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(methoxyacetyl)-4-piperidinecarboxamide
CID 72885136
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
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)tetrahydro-2H-pyran-4-carboxamide
CID 91766462

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide (CID 91766906) is N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide is COCCn1c(CN2CCC(CNC(C)=O)CC2)nnc1C1CC(N)C1.
What is the InChIKey of N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is WOJSGCPCBDHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-13(25)20-11-14-3-5-23(6-4-14)12-17-21-22-18(15-9-16(19)10-15)24(17)7-8-26-2/h14-16H,3-12,19H2,1-2H3,(H,20,25).
What are the key properties of N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(3-aminocyclobutyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91766906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).