4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one

C22H29N5O2 — CID 42357884

IUPAC4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3cn(C4CCCCC4)nn3)CC2=O)cc1C
InChIInChI=1S/C22H29N5O2/c1-16-8-9-18(12-17(16)2)13-25-10-11-26(15-21(25)28)22(29)20-14-27(24-23-20)19-6-4-3-5-7-19/h8-9,12,14,19H,3-7,10-11,13,15H2,1-2H3
InChIKeyFHHPCSLGNFRAIJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.88
Rot. Bonds4

About 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one

4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one (PubChem CID 42357884) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one
PubChem CID42357884
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)c3cn(C4CCCCC4)nn3)CC2=O)cc1C
InChIInChI=1S/C22H29N5O2/c1-16-8-9-18(12-17(16)2)13-25-10-11-26(15-21(25)28)22(29)20-14-27(24-23-20)19-6-4-3-5-7-19/h8-9,12,14,19H,3-7,10-11,13,15H2,1-2H3
InChIKeyFHHPCSLGNFRAIJ-UHFFFAOYSA-N
XLogP2.88
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42272938
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
1-[(3,4-dimethylphenyl)methyl]-4-(2-methyl-3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70769668
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
1-[(3,4-dimethylphenyl)methyl]-4-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
CID 156585413
1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one
CID 118766814
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(1-cyclohexyltriazol-4-yl)methanone
CID 42510330
4-[(3,4-dimethylphenyl)methyl]-N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-3-oxopiperazine-1-carboxamide
CID 126436563
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
4-[(3,4-dimethylphenyl)methyl]-3-oxo-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 125438606

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one (CID 42357884) is 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCN(C(=O)c3cn(C4CCCCC4)nn3)CC2=O)cc1C.
What is the InChIKey of 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one?
The InChIKey is FHHPCSLGNFRAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-8-9-18(12-17(16)2)13-25-10-11-26(15-21(25)28)22(29)20-14-27(24-23-20)19-6-4-3-5-7-19/h8-9,12,14,19H,3-7,10-11,13,15H2,1-2H3.
What are the key properties of 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one?
4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one has a molecular weight of 395.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyltriazole-4-carbonyl)-1-[(3,4-dimethylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 42357884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).