1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one

C19H33N5O2 — CID 56742524

IUPAC1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
SMILESCc1cn(CCNCC2(O)CCCN(CCC3CCCCC3)C2=O)nn1
InChIInChI=1S/C19H33N5O2/c1-16-14-24(22-21-16)13-10-20-15-19(26)9-5-11-23(18(19)25)12-8-17-6-3-2-4-7-17/h14,17,20,26H,2-13,15H2,1H3
InChIKeyCZIHSGUXAHIWNP-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.50
Rot. Bonds8

About 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one

1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one (PubChem CID 56742524) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
PubChem CID56742524
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
SMILESCc1cn(CCNCC2(O)CCCN(CCC3CCCCC3)C2=O)nn1
InChIInChI=1S/C19H33N5O2/c1-16-14-24(22-21-16)13-10-20-15-19(26)9-5-11-23(18(19)25)12-8-17-6-3-2-4-7-17/h14,17,20,26H,2-13,15H2,1H3
InChIKeyCZIHSGUXAHIWNP-UHFFFAOYSA-N
XLogP1.50
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one (CID 56742524) is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one is Cc1cn(CCNCC2(O)CCCN(CCC3CCCCC3)C2=O)nn1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one?
The InChIKey is CZIHSGUXAHIWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-16-14-24(22-21-16)13-10-20-15-19(26)9-5-11-23(18(19)25)12-8-17-6-3-2-4-7-17/h14,17,20,26H,2-13,15H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one?
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one has a molecular weight of 363.51 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one is sourced from PubChem (CID 56742524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).