N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C21H25ClN6O — CID 8590325

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN6O/c1-14-19(15(2)28-21(25-14)23-13-24-28)11-20(29)26-18-7-9-27(10-8-18)12-16-3-5-17(22)6-4-16/h3-6,13,18H,7-12H2,1-2H3,(H,26,29)
InChIKeyYGAODTFJGWLHMT-UHFFFAOYSA-N
MW412.93 g/mol
LogP2.72
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 8590325) has the molecular formula C21H25ClN6O and a molecular weight of 412.93 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID8590325
Molecular FormulaC21H25ClN6O
Molecular Weight412.93 g/mol
Exact Mass412.18
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2ncnn2c(C)c1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN6O/c1-14-19(15(2)28-21(25-14)23-13-24-28)11-20(29)26-18-7-9-27(10-8-18)12-16-3-5-17(22)6-4-16/h3-6,13,18H,7-12H2,1-2H3,(H,26,29)
InChIKeyYGAODTFJGWLHMT-UHFFFAOYSA-N
XLogP2.72
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.93
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 7420727
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8819389
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
N-[[4-(dimethylamino)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9305388
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60515783
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 42593936
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
CID 22396168
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8819942
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8819437

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 8590325) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2ncnn2c(C)c1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is YGAODTFJGWLHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O/c1-14-19(15(2)28-21(25-14)23-13-24-28)11-20(29)26-18-7-9-27(10-8-18)12-16-3-5-17(22)6-4-16/h3-6,13,18H,7-12H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 412.93 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 8590325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).