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

C19H27N5O2 — CID 56527383

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C19H27N5O2/c1-13(2)15-8-7-14(3)16(11-15)26-12-17(25)20-18-21-19(23-22-18)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H2,20,21,22,23,25)
InChIKeyPOQBDZSSLCNSDX-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.24
Rot. Bonds6

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

2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 56527383) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID56527383
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C19H27N5O2/c1-13(2)15-8-7-14(3)16(11-15)26-12-17(25)20-18-21-19(23-22-18)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H2,20,21,22,23,25)
InChIKeyPOQBDZSSLCNSDX-UHFFFAOYSA-N
XLogP3.24
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide with MolForge

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Related Compounds

N-[2-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55973351
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55534225
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24535265
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 56527543
2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092748
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
2-(4-bromophenyl)sulfanyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527462
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
N-[4-(cyanomethyl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 9260247
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 56527383) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is POQBDZSSLCNSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)15-8-7-14(3)16(11-15)26-12-17(25)20-18-21-19(23-22-18)24-9-5-4-6-10-24/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H2,20,21,22,23,25).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 56527383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).