cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C19H33N5O2 — CID 70760401

IUPACcyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCCC3)CC2)n1C
InChIInChI=1S/C19H33N5O2/c1-22(12-13-25)14-17-20-21-18(23(17)2)15-8-10-24(11-9-15)19(26)16-6-4-3-5-7-16/h15-16,25H,3-14H2,1-2H3
InChIKeyBZZCCUWZQDMZMW-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.53
Rot. Bonds6

About cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70760401) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70760401
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Namecyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCCC3)CC2)n1C
InChIInChI=1S/C19H33N5O2/c1-22(12-13-25)14-17-20-21-18(23(17)2)15-8-10-24(11-9-15)19(26)16-6-4-3-5-7-16/h15-16,25H,3-14H2,1-2H3
InChIKeyBZZCCUWZQDMZMW-UHFFFAOYSA-N
XLogP1.53
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70760401) is cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(CCO)Cc1nnc(C2CCN(C(=O)C3CCCCC3)CC2)n1C.
What is the InChIKey of cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is BZZCCUWZQDMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-22(12-13-25)14-17-20-21-18(23(17)2)15-8-10-24(11-9-15)19(26)16-6-4-3-5-7-16/h15-16,25H,3-14H2,1-2H3.
What are the key properties of cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70760401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).