2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

C21H28N4O2 — CID 51115668

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15(2)18-6-5-16(3)13-19(18)27-14-20(26)24-17-7-11-25(12-8-17)21-22-9-4-10-23-21/h4-6,9-10,13,15,17H,7-8,11-12,14H2,1-3H3,(H,24,26)
InChIKeyQBSCXGYNLHPZEW-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.07
Rot. Bonds6

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (PubChem CID 51115668) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
PubChem CID51115668
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15(2)18-6-5-16(3)13-19(18)27-14-20(26)24-17-7-11-25(12-8-17)21-22-9-4-10-23-21/h4-6,9-10,13,15,17H,7-8,11-12,14H2,1-3H3,(H,24,26)
InChIKeyQBSCXGYNLHPZEW-UHFFFAOYSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
2-(2,5-dimethylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 154779927
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 38208532
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119622613
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 47061398

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide (CID 51115668) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is QBSCXGYNLHPZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)18-6-5-16(3)13-19(18)27-14-20(26)24-17-7-11-25(12-8-17)21-22-9-4-10-23-21/h4-6,9-10,13,15,17H,7-8,11-12,14H2,1-3H3,(H,24,26).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 51115668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).