N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C21H31N5O2 — CID 120644245

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1
InChIInChI=1S/C21H31N5O2/c1-13(2)17-7-6-14(3)12-18(17)28-15(4)20(27)24-21-23-19(25-26(21)5)16-8-10-22-11-9-16/h6-7,12-13,15-16,22H,8-11H2,1-5H3,(H,23,24,25,27)
InChIKeyWDVVIVXDAFEALC-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.12
Rot. Bonds6

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 120644245) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID120644245
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1
InChIInChI=1S/C21H31N5O2/c1-13(2)17-7-6-14(3)12-18(17)28-15(4)20(27)24-21-23-19(25-26(21)5)16-8-10-22-11-9-16/h6-7,12-13,15-16,22H,8-11H2,1-5H3,(H,23,24,25,27)
InChIKeyWDVVIVXDAFEALC-UHFFFAOYSA-N
XLogP3.12
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644723
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120643455
2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120642449
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644678
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
2-(2,6-dimethylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120645086
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120643222
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644548
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 120643034

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 120644245) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)Nc2nc(C3CCNCC3)nn2C)c1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is WDVVIVXDAFEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-13(2)17-7-6-14(3)12-18(17)28-15(4)20(27)24-21-23-19(25-26(21)5)16-8-10-22-11-9-16/h6-7,12-13,15-16,22H,8-11H2,1-5H3,(H,23,24,25,27).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 385.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 120644245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).