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

C20H33N5O — CID 70746961

IUPACcyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H33N5O/c1-23-18(15-24-11-5-6-12-24)21-22-19(23)16-9-13-25(14-10-16)20(26)17-7-3-2-4-8-17/h16-17H,2-15H2,1H3
InChIKeyUSSJXZMQKZALKK-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.70
Rot. Bonds4

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

cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70746961) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70746961
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Namecyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H33N5O/c1-23-18(15-24-11-5-6-12-24)21-22-19(23)16-9-13-25(14-10-16)20(26)17-7-3-2-4-8-17/h16-17H,2-15H2,1H3
InChIKeyUSSJXZMQKZALKK-UHFFFAOYSA-N
XLogP2.70
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-butylcyclohexyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 42947528
3-cyclopentyl-1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propan-1-one
CID 45832386
3-cyclohexyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 53516626
1-[3-[7-(cyclohexanecarbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 110262099
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-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
2-Cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110196053

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70746961) is cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is USSJXZMQKZALKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23-18(15-24-11-5-6-12-24)21-22-19(23)16-9-13-25(14-10-16)20(26)17-7-3-2-4-8-17/h16-17H,2-15H2,1H3.
What are the key properties of cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 359.52 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70746961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).