[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C18H27N7O — CID 25491092

IUPAC[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1
InChIInChI=1S/C18H27N7O/c1-23-13-19-21-17(23)15-8-5-9-24(11-15)18(26)16-12-25(22-20-16)10-14-6-3-2-4-7-14/h12-15H,2-11H2,1H3/t15-/m1/s1
InChIKeyIUVQLYFQHQGIBT-OAHLLOKOSA-N
MW357.46 g/mol
LogP2.01
Rot. Bonds4

About [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 25491092) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID25491092
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1[C@@H]1CCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1
InChIInChI=1S/C18H27N7O/c1-23-13-19-21-17(23)15-8-5-9-24(11-15)18(26)16-12-25(22-20-16)10-14-6-3-2-4-7-14/h12-15H,2-11H2,1H3/t15-/m1/s1
InChIKeyIUVQLYFQHQGIBT-OAHLLOKOSA-N
XLogP2.01
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42240876
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999
[1-[1-(2-cyclohexylethyl)triazole-4-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 45171696
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
(1-aminocyclohexyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60964072
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 25491092) is [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cn1cnnc1[C@@H]1CCCN(C(=O)c2cn(CC3CCCCC3)nn2)C1.
What is the InChIKey of [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is IUVQLYFQHQGIBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N7O/c1-23-13-19-21-17(23)15-8-5-9-24(11-15)18(26)16-12-25(22-20-16)10-14-6-3-2-4-7-14/h12-15H,2-11H2,1H3/t15-/m1/s1.
What are the key properties of [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)triazol-4-yl]-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 25491092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).