2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

C19H29N7O — CID 72918452

IUPAC2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(Cn2cncn2)nnc1C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H29N7O/c1-24-17(12-26-14-20-13-21-26)22-23-19(24)16-7-9-25(10-8-16)18(27)11-15-5-3-2-4-6-15/h13-16H,2-12H2,1H3
InChIKeyCAENXAVPFUQEJY-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.13
Rot. Bonds5

About 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 72918452) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID72918452
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(Cn2cncn2)nnc1C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H29N7O/c1-24-17(12-26-14-20-13-21-26)22-23-19(24)16-7-9-25(10-8-16)18(27)11-15-5-3-2-4-6-15/h13-16H,2-12H2,1H3
InChIKeyCAENXAVPFUQEJY-UHFFFAOYSA-N
XLogP2.13
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-propionylpiperidine
CID 72933217
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598
2-cyclohexyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CID 53193622
3-cyclopentyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-propanone
CID 53193623
N,N-dimethyl-1-(4-methyl-5-{1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methanamine
CID 70719842
4-[4-cyclopropyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine
CID 72845474
N-methyl-N-(1-methylpiperidin-4-yl)-3-{1-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl}propanamide
CID 72877924
2-Cyclopentyl-1-[2-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 87052136
3-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}propan-1-one
CID 87052156
2-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}ethan-1-one
CID 87052175
1-Cyclopentanecarbonyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidine
CID 87052182

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 72918452) is 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is Cn1c(Cn2cncn2)nnc1C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is CAENXAVPFUQEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-24-17(12-26-14-20-13-21-26)22-23-19(24)16-7-9-25(10-8-16)18(27)11-15-5-3-2-4-6-15/h13-16H,2-12H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 371.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72918452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).