[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H26FN5O — CID 24791999

IUPAC[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(CC2CCCCC2)nn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-6-8-18(9-7-17)24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2
InChIKeyLYVOMFSFNNQQLG-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.96
Rot. Bonds4

About [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 24791999) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID24791999
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(CC2CCCCC2)nn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-6-8-18(9-7-17)24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2
InChIKeyLYVOMFSFNNQQLG-UHFFFAOYSA-N
XLogP2.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42240876
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42191605
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]triazol-4-yl]methanone
CID 129356166
(1-cyclopentylpyrazol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 39855125
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 53491083
4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
CID 95203259
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 42591846
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]triazol-4-yl]methanone
CID 42099259
[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 25491092
(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
CID 142648065
[(3R)-3-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952364

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 24791999) is [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cn(CC2CCCCC2)nn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LYVOMFSFNNQQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-6-8-18(9-7-17)24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)14-16-4-2-1-3-5-16/h6-9,15-16H,1-5,10-14H2.
What are the key properties of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24791999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).