3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one

C19H33N5O2 — CID 70709564

IUPAC3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C19H33N5O2/c1-19(2,3)13-17(25)24-7-5-15(6-8-24)18-21-20-16(22(18)4)14-23-9-11-26-12-10-23/h15H,5-14H2,1-4H3
InChIKeyFZALZJQHCPEJQY-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.79
Rot. Bonds4

About 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one

3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one (PubChem CID 70709564) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one
PubChem CID70709564
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C19H33N5O2/c1-19(2,3)13-17(25)24-7-5-15(6-8-24)18-21-20-16(22(18)4)14-23-9-11-26-12-10-23/h15H,5-14H2,1-4H3
InChIKeyFZALZJQHCPEJQY-UHFFFAOYSA-N
XLogP1.79
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one (CID 70709564) is 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one is Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one?
The InChIKey is FZALZJQHCPEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-19(2,3)13-17(25)24-7-5-15(6-8-24)18-21-20-16(22(18)4)14-23-9-11-26-12-10-23/h15H,5-14H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one?
3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one has a molecular weight of 363.51 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70709564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).