4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C18H31N5O — CID 70742274

IUPAC4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(CC2CCC2)CC1
InChIInChI=1S/C18H31N5O/c1-21-17(14-23-9-11-24-12-10-23)19-20-18(21)16-5-7-22(8-6-16)13-15-3-2-4-15/h15-16H,2-14H2,1H3
InChIKeyRRGYBLUVJPBFHT-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.63
Rot. Bonds5

About 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70742274) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70742274
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(CC2CCC2)CC1
InChIInChI=1S/C18H31N5O/c1-21-17(14-23-9-11-24-12-10-23)19-20-18(21)16-5-7-22(8-6-16)13-15-3-2-4-15/h15-16H,2-14H2,1H3
InChIKeyRRGYBLUVJPBFHT-UHFFFAOYSA-N
XLogP1.63
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70742274) is 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(CC2CCC2)CC1.
What is the InChIKey of 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is RRGYBLUVJPBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21-17(14-23-9-11-24-12-10-23)19-20-18(21)16-5-7-22(8-6-16)13-15-3-2-4-15/h15-16H,2-14H2,1H3.
What are the key properties of 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 333.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(cyclobutylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70742274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).