2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C24H29N5O3 — CID 58448006

IUPAC2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=C(N1CCCCC1)C1(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CCCCC1
InChIInChI=1S/C24H29N5O3/c30-20-16-19(25-23-26-21(27-29(20)23)18-10-4-1-5-11-18)17-32-24(12-6-2-7-13-24)22(31)28-14-8-3-9-15-28/h1,4-5,10-11,16H,2-3,6-9,12-15,17H2,(H,25,26,27)
InChIKeyMNOLYBOXJRPVSQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.32
Rot. Bonds5

About 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 58448006) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID58448006
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=C(N1CCCCC1)C1(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CCCCC1
InChIInChI=1S/C24H29N5O3/c30-20-16-19(25-23-26-21(27-29(20)23)18-10-4-1-5-11-18)17-32-24(12-6-2-7-13-24)22(31)28-14-8-3-9-15-28/h1,4-5,10-11,16H,2-3,6-9,12-15,17H2,(H,25,26,27)
InChIKeyMNOLYBOXJRPVSQ-UHFFFAOYSA-N
XLogP3.32
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 58448006) is 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=C(N1CCCCC1)C1(OCc2cc(=O)n3[nH]c(-c4ccccc4)nc3n2)CCCCC1.
What is the InChIKey of 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MNOLYBOXJRPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-20-16-19(25-23-26-21(27-29(20)23)18-10-4-1-5-11-18)17-32-24(12-6-2-7-13-24)22(31)28-14-8-3-9-15-28/h1,4-5,10-11,16H,2-3,6-9,12-15,17H2,(H,25,26,27).
What are the key properties of 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 435.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[1-(piperidine-1-carbonyl)cyclohexyl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58448006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).