4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one

C20H30N6O2 — CID 45246542

IUPAC4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cn(CC3CCN(C(=O)C4CC=CCC4)CC3)nn2)CCN1
InChIInChI=1S/C20H30N6O2/c27-19-15-24(11-8-21-19)13-18-14-26(23-22-18)12-16-6-9-25(10-7-16)20(28)17-4-2-1-3-5-17/h1-2,14,16-17H,3-13,15H2,(H,21,27)
InChIKeySVLUCSGLTZMZQI-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.80
Rot. Bonds5

About 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one

4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 45246542) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID45246542
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cn(CC3CCN(C(=O)C4CC=CCC4)CC3)nn2)CCN1
InChIInChI=1S/C20H30N6O2/c27-19-15-24(11-8-21-19)13-18-14-26(23-22-18)12-16-6-9-25(10-7-16)20(28)17-4-2-1-3-5-17/h1-2,14,16-17H,3-13,15H2,(H,21,27)
InChIKeySVLUCSGLTZMZQI-UHFFFAOYSA-N
XLogP0.80
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

N-cyclohexyl-3-[[4-[(3-oxopiperazin-1-yl)methyl]triazol-1-yl]methyl]piperidine-1-carboxamide
CID 45238233
4-[[1-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154891231
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid
CID 46987392
1-[[1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-1,4-diazepan-5-one
CID 45182627
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
CID 139019667
(2R)-2-amino-1-[4-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 31134660
[(1R)-cyclohex-3-en-1-yl]-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
CID 97042338
1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine
CID 28767502
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (CID 45246542) is 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is O=C1CN(Cc2cn(CC3CCN(C(=O)C4CC=CCC4)CC3)nn2)CCN1.
What is the InChIKey of 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is SVLUCSGLTZMZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c27-19-15-24(11-8-21-19)13-18-14-26(23-22-18)12-16-6-9-25(10-7-16)20(28)17-4-2-1-3-5-17/h1-2,14,16-17H,3-13,15H2,(H,21,27).
What are the key properties of 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one has a molecular weight of 386.50 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 45246542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).