3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C19H34N6O — CID 91760136

IUPAC3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCC(CN3CCOCC3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C19H34N6O/c1-2-25-18(21-22-19(25)16-11-17(20)12-16)14-23-5-3-15(4-6-23)13-24-7-9-26-10-8-24/h15-17H,2-14,20H2,1H3
InChIKeySCANZRNINXSYDJ-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.05
Rot. Bonds6

About 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91760136) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91760136
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN2CCC(CN3CCOCC3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C19H34N6O/c1-2-25-18(21-22-19(25)16-11-17(20)12-16)14-23-5-3-15(4-6-23)13-24-7-9-26-10-8-24/h15-17H,2-14,20H2,1H3
InChIKeySCANZRNINXSYDJ-UHFFFAOYSA-N
XLogP1.05
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91760136) is 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN2CCC(CN3CCOCC3)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is SCANZRNINXSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-2-25-18(21-22-19(25)16-11-17(20)12-16)14-23-5-3-15(4-6-23)13-24-7-9-26-10-8-24/h15-17H,2-14,20H2,1H3.
What are the key properties of 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 362.52 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91760136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).