1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one

C14H23N5O — CID 142661177

IUPAC1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1[C@H](Cn1cncn1)C1CCCCC1
InChIInChI=1S/C14H23N5O/c20-14-8-15-6-7-19(14)13(9-18-11-16-10-17-18)12-4-2-1-3-5-12/h10-13,15H,1-9H2/t13-/m1/s1
InChIKeyPRBLLJDCFXWKBN-CYBMUJFWSA-N
MW277.37 g/mol
LogP0.66
Rot. Bonds4

About 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one

1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one (PubChem CID 142661177) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
PubChem CID142661177
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1[C@H](Cn1cncn1)C1CCCCC1
InChIInChI=1S/C14H23N5O/c20-14-8-15-6-7-19(14)13(9-18-11-16-10-17-18)12-4-2-1-3-5-12/h10-13,15H,1-9H2/t13-/m1/s1
InChIKeyPRBLLJDCFXWKBN-CYBMUJFWSA-N
XLogP0.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one (CID 142661177) is 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one is O=C1CNCCN1[C@H](Cn1cncn1)C1CCCCC1.
What is the InChIKey of 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The InChIKey is PRBLLJDCFXWKBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N5O/c20-14-8-15-6-7-19(14)13(9-18-11-16-10-17-18)12-4-2-1-3-5-12/h10-13,15H,1-9H2/t13-/m1/s1.
What are the key properties of 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 142661177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).