N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide

C25H36N4O2 — CID 163897166

IUPACN-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide
SMILESCc1ccc(C2CCN(C(=O)[C@H](NC(=O)Cc3cn(C)cn3)C(C)C)CC2(C)C)cc1
InChIInChI=1S/C25H36N4O2/c1-17(2)23(27-22(30)13-20-14-28(6)16-26-20)24(31)29-12-11-21(25(4,5)15-29)19-9-7-18(3)8-10-19/h7-10,14,16-17,21,23H,11-13,15H2,1-6H3,(H,27,30)/t21?,23-/m1/s1
InChIKeyQGQWXXQEUQMQCU-JFGZAKSSSA-N
MW424.59 g/mol
LogP3.45
Rot. Bonds6

About N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide

N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide (PubChem CID 163897166) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide
PubChem CID163897166
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide
SMILESCc1ccc(C2CCN(C(=O)[C@H](NC(=O)Cc3cn(C)cn3)C(C)C)CC2(C)C)cc1
InChIInChI=1S/C25H36N4O2/c1-17(2)23(27-22(30)13-20-14-28(6)16-26-20)24(31)29-12-11-21(25(4,5)15-29)19-9-7-18(3)8-10-19/h7-10,14,16-17,21,23H,11-13,15H2,1-6H3,(H,27,30)/t21?,23-/m1/s1
InChIKeyQGQWXXQEUQMQCU-JFGZAKSSSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylidene-3-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 163862166
ethyl 3-[[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoylamino]propanoate
CID 163795191
3-N-[1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzene-1,3-dicarboxamide
CID 163450914
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(propan-2-ylcarbamoylamino)propanamide
CID 143524895
1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-2-[[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]amino]-3-methylbutan-1-one
CID 163615030
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]formamide
CID 58457296
N-[(2R)-1-[4-(4-fluorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 163752505
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785
1-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 70943368
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424
5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide
CID 58457617
2-[2-[[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid;methanol
CID 143524681

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide?
The IUPAC name of N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide (CID 163897166) is N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide?
The canonical SMILES for N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide is Cc1ccc(C2CCN(C(=O)[C@H](NC(=O)Cc3cn(C)cn3)C(C)C)CC2(C)C)cc1.
What is the InChIKey of N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide?
The InChIKey is QGQWXXQEUQMQCU-JFGZAKSSSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17(2)23(27-22(30)13-20-14-28(6)16-26-20)24(31)29-12-11-21(25(4,5)15-29)19-9-7-18(3)8-10-19/h7-10,14,16-17,21,23H,11-13,15H2,1-6H3,(H,27,30)/t21?,23-/m1/s1.
What are the key properties of N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide?
N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide has a molecular weight of 424.59 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3,3-dimethyl-4-(4-methylphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 163897166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).